3D Mol Similar

Resorcinol

: Iupac Name：benzene-1,3-diol; CAS No.: 108-46-3; Molecular Weight：110.112; Modify Date.: 2022-11-22 15:45; Introduction: Resorcinol has bactericidal, fungicidal and anti-itching effect with the bactericidal effect being 1/3 of the phenol and also a low irritating and corrosive property. At low concentration, it can play the role promoting the regeneration of horny while having keratin exfoliation effect at high concentration. It is mainly used for rubber adhesives, plastics, synthetic resins, synthetic fibers, dyes, preservatives, anti-itch, anti-fungal agent, analytical reagent and can also be used to treat ringworm, eczema, seborrheic dermatitis, acne and psoriasis. View more+

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1. Names and Identifiers

: 1.1 Name; Resorcinol; 1.2 Synonyms; 1,3-benzenediol 1,3-Benzenediol,Resorcinol 1,3-Benzenediol,Resorcinolum 1,3-diethynyl-benzene 1,3-diethynylenebenzene 1,3-dihydroxybenzene 1,3-hydroquinone 2,3-Pyridinedicarboxylic acid Benzene,1,3-diethynyl Cohedur RK Developer O Developer R Developer RS developero developerr developerrs Dihydroxybenzol EINECS 203-585-2 Hymecromone impurity A m-diethynylbenzene meta-diethynylbenzene meta-dihydroxy benzene MFCD00002269 Phloroglucinol Impurity 2 Resorcine; View all

1.3 CAS No.: 108-46-3

1.4 CID: 5054

1.5 EINECS(EC#): 203-585-2; 500-056-0

1.6 Molecular Formula: C6H6O2 (isomer)

1.7 Inchi: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

1.8 InChIkey: GHMLBKRAJCXXBS-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=CC(=C1)O)O

1.10 Isomers Smiles: C1=CC(=CC(=C1)O)O

2. Properties

2.1 Density: 1.27

2.1 Melting point: 109-111℃

2.1 Boiling point: 228 to 232° F (NTP, 1992)

2.1 Refractive index: 1.612

2.1 Flash Point: 261° F (NTP, 1992)

2.2 Precise Quality: 110.03700

2.2 PSA: 40.46000

2.2 logP: 1.09780

2.2 Solubility: Water solubility: 140 g/100 m

2.3 VaporDensity: 3.8 (vs air)

2.4 AnalyticLaboratory Methods: Method: NIOSH 5701, Issue 1; Procedure: gas chromatography with flame ionization detection; Analyte: resorcinol;; Matrix: air; Detection Limit: 2 ug/sample.

2.5 Appearance: white Liquid

2.6 AutoIgnition: 1125° F (USCG, 1999)

2.7 Storage: Air Sensitive. Light Sensitive. Ambient temperatures.

2.8 Chemical Properties: It is white needle-like crystal. It will become pink upon exposure to light and air or contact with iron. It has a sweet taste. It is soluble in water, ethanol, amyl alcohol, easily soluble in ether, glycerol, slightly soluble in chloroform, carbon disulfide as well as in benzene.

2.9 Color/Form: Powder

2.10 Contact Allergens: Resorcinol is used in hairdressing as a modifier (or a coupler) of the PPD group of dyes. It is the least frequent sensitizer in hairdressers. It is also used in resins, in skin treatment mixtures, and for tanning. Severe cases of dermatitis due to resorcinol contained in wart preparations have been reported.

2.11 Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.

2.12 Heat of Combustion: -2710 kJ/mol at 25 deg C

2.13 Ionization Potential: 8.63 eV

2.14 Odor: Faint, characteristic odor

2.15 Odor Threshold: Odor threshold concentration (detection): 6.0 mg/L

2.16 PH: 4-6 (100g/l, H2O, 20℃)

2.17 Physical: RESORCINOL; is a very white crystalline solid that becomes pink on exposure to light if not completely pure. Burns although ignition is difficult. Density approximately 1.28 g / cm3. Irritating to skin and eyes. Toxic by skin absorption. Used to make plastics and pharmaceuticals.

2.18 pKa: 9.81(at 25℃)

2.19 Water Solubility: H2O: soluble 1M at 20°C, clear, faintly yellow

2.20 Spectral Properties: SADTLER REFERENCE NUMBER: 467 (IR, PRISM); 125 (IR, GRATING); MAX ABSORPTION (ALC): 220 NM (LOG E= 3.79); 276 NM (LOG E= 3.33)
Resorcinol, 98%, exhibits its two strongest infra red absorption bands at wavelengths of 3.0 and 8.6 microns.
IR: COB 1112 (Coblentz Society Spectral Collection)
UV: 2572 (Sadtler Research Laboratories Spectral Collection)
NMR: 6672 (Sadtler Research Laboratories Spectral Collection)
MS: WILEY 351 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)

2.21 Stability: Stable. Incompatible with strong oxidizing agents. May discolour on exposure to air or light.

2.22 StorageTemp: Store below +30°C.

2.23 Toxicity Summary: IDENTIFICATION AND USE: Resorcinol; is a white crystalline compound with a faint odor and bitter-sweet taste. It exists in at least two crystalline modifications. Crystalline resorcinol; turns pale red in the presence of light and air and is hygroscopic. It is miscible in water;. It is used in tanning, photography; manufacture of resins, resin adhesives, hexylresorcinol;, p-aminosalicylic acid;, explosives, dyes, tires, rubber products; in cosmetics; dyeing and printing textiles; and as a reagent for zinc;. It is not registered for current pesticide use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses. Resorcinol; is also a medication, used as an antifungal, antibacterial, mildly keratolytic and local irritant agent. It is a pharmaceutical agent used topically in dermatological treatments such as acne and related skin conditions. It could also be used in combination with the other acne treatment agents such as sulphur. HUMAN EXPOSURE AND TOXICITY: An application of 3-25% solution of resorcinol; to skin may cause redness, itching, dermatitis, edema or corrosion of affected area. Potential symptoms of overexposure are irritation of eyes, skin, nose, throat, upper respiratory system; dermatitis; methemoglobinemia, cyanosis, convulsions; restlessness, bluish skin, increased heart rate, dyspnea; dizziness, drowsiness, hypothermia, hemoglobinuria; spleen, kidney, liver changes. ANIMAL STUDIES: Tests of 10% soln on rabbit eyes have caused pain, conjunctival inflammation, and vascularization of cornea. Dry, powdered resorcinol; applied to rabbit eyes induced necrosis sufficient to cause perforation of cornea in some and extensive vascularization in others. A subcutaneous injection of 154 mg/kg in rats produced a thyroid disturbance (myxedema and goiter); an effect that did not occur when 50 mg/kg was injected. Resorcinol; intake at 1000 mg/L via contaminated drinking water; caused no detectable adverse effects on any reproduction or thyroid gland end points in rats. Groups of 10 male and female rats were given 0, 32, 65, 130, 260, or 520 mg/kg resorcinol; by gavage 5 days/week for 13 weeks. Most animals given 520 mg/kg died. Daily doses of 65 mg/kg produced increased liver weights, but no other toxic effects were reported. Resorcinol; showed no carcinogenic effect when tested by repeated skin application in mice and in 2-year gavage studies in rats and mice. Resorcinol; was not mutagenic to Salmonella typhimurium strains TA1535, TA1537, TA98 or TA100 in presence or absence of rat liver postmitochondrial supernatant fraction.; View all

3. Use and Manufacturing

3.1 Definition: ChEBI: A benzenediol that is benzene dihydroxylated at positions 1 and 3.

3.2 General Description: Very white crystalline solid that becomes pink on exposure to light if not completely pure. Burns although ignition is difficult. Density approximately 1.28 g / cm3. Irritating to skin and eyes. Toxic by skin absorption. Used to make plastics and pharmaceuticals.

3.3 GHS Classification: Signal: Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statement Codes
P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501

3.4 Methods of Manufacturing: Via Sulfonation of Benzene; ... In the process variation used today, the sulfonation of benzene; is carried out continuously with sulfur trioxide; alone so that only small amounts of sulfuric acid; are contained in the sulfonation mixture and the addition of lime is not required. After neutralization with sodium sulfite;, soda ash, or sodium hydroxide; solution, the sulfonation product disodium benzene-1,3-disulfonate; is mixed with excess sodium hydroxide; and fed to an alkali fusion reactor at 320 - 350 deg C. The endothermic solid-state reaction yields a white powder, consisting chiefly of disodium; resorcinate, sodium sulfite;, and some excess sodium hydroxide;. Depending on the method used, the product of the fusion reaction is treated with either a small quantity of water; (in this case, solid sodiumsulfite; which contains organic impurities, is obtained as byproduct) or a large quantity of water; forming an almost saturated solution of the product. In both processes the dissolved disodium; resorcinate is then reacted with sulfur dioxide;, sulfuric acid;, or hydrochloric acid; to give resorcinol;. The dissolved resorcinol; is extracted with an organic solvent. The preferred solvent is diisopropyl ether;, but benzene;, 4-methyl-2-pentanone; (methyl isobutyl ketone;), or others can also be used. The solvent is then distilled off, and crude resorcinol; is purified further by distillation in vacuum.; View all

3.5 Potential Exposure: Resorcinol is weakly antiseptic;resorcinol compounds are used in the production ofresorcinol-formaldehyde adhesives; or as an intermediate;in pharmaceuticals and hair dyes for human use. Majorindustrial uses are as adhesives in rubber products and tires,wood adhesive resins, and as ultraviolet absorbers inpolyolefin plastics. Resorcinol is also a by-product of coalconversion and is a component of cigarette smoke. Thus,substantial opportunity exists for human exposure.

3.6 Purification Methods: Crystallise resorcinol from *benzene, toluene or *benzene/diethyl ether. The benzoate has m 117o. [Beilstein 6 IV 2069.]

3.7 Shipping: UN2876 Resorcinol, Hazard Class: 6.1; Labels:6.1-Poisonous materials.

3.8 Usage: Manufacture of rubber products, wood adhesives, dyes, explosives, and cosmetics; in photography.

4. Safety and Handling

4.1 Symbol: GHS07, GHS08, GHS09

4.1 Hazard Codes: Xn

4.1 Signal Word: Danger

4.1 Risk Statements: R22;R36/38;R50

4.1 Safety Statements: S26;S61

4.1 Packing Group: III

4.1 Octanol/Water Partition Coefficient: log Kow = 0.80

4.2 Fire Hazard: Behavior in Fire: Containers may explode.

4.3 Other Preventative Measures: SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Remove contaminated clothing and shoes.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary.
Personnel protection: Avoid breathing vapors or dusts. Avoid bodily contact with the material. ... If contact with the material anticipated, wear appropriate chemical protective clothing. Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. ...; View all

4.4 Hazard Class: 6.1

4.4 Hazard Declaration: H302-H315-H317-H319-H370-H410

4.4 Cleanup Methods: Environmental consideration: Water spill: Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting water.

4.5 DisposalMethods: Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U201, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids.
Chemical Treatability of Resorcinol; Concentration Process: Activated Carbon; Chemical Classification: Phenols; Scale of Study: Batch Flow/Laboratory Scale; Type of Wastewater Used: Pure Compound; Influent Concentration: 100 ppb; Results of Study: 100% reduction; 0% desorbed from carbon by elutriation with solvent (Calgon FS-300 used. Solvent included pentane-acetone, diethyl ether, methylene chloride-acetone, chloroform-acetone and acetone).
Chemical Treatability of Resorcinol; Concentration Process: Resin Adsorption; Chemical Classification: Phenols; Scale of Study: Batch Flow/Laboratory Scale Type of Wastewater Used: Pure Compound; Influent Concentration: 100 ppb; Results of Study: 100% reduction; 60% desorbed from resin by elutriation with solvent (Amberlite XAD-2 used. Solvents included pentane-acetone, diethyl ether, methylene chloride-acetone, chloroform-acetone and acetone).
Chemical Treatability of Resorcinol; Concentration Process: Activated Carbon; Chemical Classification: Phenol; Scale of Study: Batch Flow and Lab Scale; Type of Wastewater Used: Pure compound; Results of Study: 100% reduction; 35% desorbed from resin by elutriation with solvent.
Chemical Treatability of Resorcinol; Concentration Process: Resin Adsorption; Chemical Classification: Phenol;Scale of Study: Batch Flow and Lab Scale; Type of Wastewater Used: Pure compound; Study: 100% reduction; 6% desorbed from carbon by elutriation with solvent.
Dissolve in a combustible solvent and incinerate. Recommendable methods: Incineration & use as a boiler fuel. Peer review: Dissolve in light fuel. (Peer-review conclusions of an IRPTC expert consultation (May 1985)); View all

4.6 DOT Emergency Guidelines: /GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS.
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.; View all

4.7 RIDADR: UN 2876

4.7 Fire Fighting Procedures: If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog.
/Use/ water, foam, dry chemical, or carbon dioxide

4.8 FirePotential: COMBUSTIBLE WHEN EXPOSED TO HEAT OR FLAME

4.9 Safety Profile: Human poison by ingestion. Experimental poison by ingestion, intraperitoneal, parenteral, and subcutaneous routes. Moderately toxic experimentally by skin contact and intravenous routes. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. A skin and severe eye irritant. It can cause systemic poisoning by acting as both a blood and nerve poison. In a suitable solvent, this material can readily be absorbed through human skin and can cause local hyperemia, itching, dermatitis, edema, and corrosion associated with enlargement of regonal lymph glands as well as serious systemic disorders such as restlessness, methemoglobinemia, cyanosis, convulsions, tachycardia, dyspnea, and death. These same symptoms can be induced by ingestion of the material. For poisoning, treat symptomatically. Get medical advice. Used as a topical antiseptic and keratolytic agent. Combustible when exposed to heat or flame; can react with oxidming materials. To fight fEe, use water, CO2, dry chemical. Potentially explosive reaction with concentrated nitric acid. Incompatible with acetadde, alkalies, ferric salts, spirit nitrous ether, urethan. When heated to decomposition it emits acrid smoke and irritating fumes; View all

4.10 Caution Statement: P260-P273-P280-P308 + P311-P333 + P313-P337 + P313

4.10 Formulations/Preparations: Grades: USP; technical
/Available/ as an ointment, cream, or lotion in concentrations of 1 to 10%. It is also used as compound resorcinol ointment, which contains 6% resorcinol. Resorcinol monoacetate gradually liberates resorcinol and, therefore, exerts a milder but more lasting action. It is used for the same purposes as resorcinol. Resorcinol monoacetate is compounded with sulfur in preparations for seborrhea.
Castellani Paint /topical antifungal agent/ contains resorcinol, basic fuchsin, phenol, acetone and alcohol
Night Cast Formula R /medicated acne mask/ contains 2% resorcinol, 8% sulfur and 31% alcohol
Resinol ointment and Resinol greaseless cream /contain/ 2.0% resorcinol
Resulfolin /contains/ 3% resorcinol monoacetate

4.11 Incompatibilities: Reacts with oxidizers, nitric acid; oil,ferric salts; methanol, acetanilide, albumin, antipyrene,alkalies, urethane, ammonia, amino compounds.Hygroscopic; absorbs moisture from the air.

4.12 WGK Germany: 2

4.12 RTECS: VG9625000

4.12 Protective Equipment and Clothing: Wear chemical goggles, rubber gloves and protective clothing.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possbility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.

4.13 Reactivities and Incompatibilities: INCOMPATIBILITIES: ACETANILIDE, ALBUMIN, ALKALIES, ANTIPYRINE, CAMPHOR, FERRIC SALTS, MENTHOL, SPIRIT NITROUS ETHER, URETHAN.
Can react with oxidizing materials
Aquatic reactions: auto-oxidation at 25 deg C: t1/2: 1612 hours at pH 9.0
Resorcinol and its derivatives are only slowly attacked by periodate, but reaction with hydrogen peroxide in presence of tungstic oxide yields maleic acid.
Hydroquinone, resorcinol, and catechol react with ammonia to give the corresponding p-, m-, and o-aminophenol.
Hydroquinone, resorcinol, and catechol react with formaldehyde under both acidic and basic conditions to give methyol derivatives which undergo condensation to yield high molecular weight condensation products; resorcinol has the highest reactivity of the three and has its most important use in this reaction.
Acetanilide, albumin, alkalis, antipyrine, camphor, ferric salts, menthol, spirit nitrous ether, strong oxidizers & bases [Note: Hygroscopic (i.e., absorbs moisture from the air)].
Potentially explosive reaction with concentrated nitric acid.; View all

4.14 Skin, Eye, and Respiratory Irritations: It is irritating to the eyes and skin.

4.15 Safety: Hazard Codes: Xn,? N
Risk Statements:
22:? Harmful if swallowed?
50:? Very Toxic to aquatic organisms????
36/38:? Irritating to eyes and skin?
Safety Statements:
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
61:? Avoid release to the environment. Refer to special instructions safety data sheet?

4.16 Sensitive: Light Sensitive

4.17 Specification: ? Resorcinol , its cas register number is 108-46-3. It also can be called 1,3-Dihydroxybenzene ; 1,3-Benzenediol ; and 3-Hydroxycyclohexadien-1-one . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Resorcinol (CAS NO.108-46-3)?absorbs moisture or water from the air. It?may discolor on exposure to air and light. It is not compatible with strong oxidizing agents, bases, acid chlorides, iron, ferric salts, acid anhydrides, alkalies, albumin, iron salts, antipyrine, methanol, acetanilide, camphor, urethane, spirit nitrous ether, and you must not take it with incompatible materials, light, dust generation, exposure to air, exposure to moist air or water, heat. And also prevent it to broken down into hazardous decomposition products:?Carbon monoxide, carbon dioxide.; View all

4.18 Toxicity: Oral-rat LD50: 301 mg/kg;Oral-Mouse LD50: 200 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H400 Very toxic to aquatic life
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in D2O

13C NMR : Predict

1H NMR : 400 MHz in DMS0-D6

1H NMR : 90 MHz in D2O

1H NMR : Predict

Predict 1H proton NMR

IR : KBr disc

IR : nujol mull

Mass

Mass spectrum (electron ionization)

UV/Visible spectrum

7. Synthesis Route

108-46-3Total: 43 Synthesis Route

95-56-7 85 Suppliers

120-80-9 163 Suppliers

108-46-3 133 Suppliers

Literatures:
Chemische Berichte, , vol. 8, p. 364
Yield: null

60-82-2 186 Suppliers

10210-17-0 30 Suppliers

501-97-3 192 Suppliers

108-46-3 133 Suppliers

Literatures:
Funatsu, Takakazu; Iriye, Ryozo; Takai, Hideyuki; Hirota, Mitsuru Agricultural and Biological Chemistry, 1989 , vol. 53, # 11 p. 3087 - 3090
Yield: ~8%

89-84-9 262 Suppliers

2896-60-8 64 Suppliers

52959-32-7

108-46-3 133 Suppliers

Literatures:
Funatsu, Takakazu; Iriye, Ryozo; Takai, Hideyuki; Hirota, Mitsuru Agricultural and Biological Chemistry, 1989 , vol. 53, # 11 p. 3087 - 3090
Yield: ~14%

View all

8. Other Information

8.0 Merck: 14,8155

8.1 BRN: 906905

8.2 毒性: GRAS(FEMA)。

8.3 Uses: Manufacture of rubber products, wood adhesives, dyes, explosives, and cosmetics; in photography.

8.4 description: Resorcinol has bactericidal, fungicidal and anti-itching effect with the bactericidal effect being 1/3 of the phenol and also a low irritating and corrosive property. At low concentration, it can play the role promoting the regeneration of horny while having keratin exfoliation effect at high concentration. It is mainly used for rubber adhesives, plastics, synthetic resins, synthetic fibers, dyes, preservatives, anti-itch, anti-fungal agent, analytical reagent and can also be used to treat ringworm, eczema, seborrheic dermatitis, acne and psoriasis.

Figure 1 3D structure of resorcinol.

8.5 Chemical Properties: It is white needle-like crystal. It will become pink upon exposure to light and air or contact with iron. It has a sweet taste. It is soluble in water, ethanol, amyl alcohol, easily soluble in ether, glycerol, slightly soluble in chloroform, carbon disulfide as well as in benzene.

8.6 reaction: The chemical property of resorcinol is active and it can participate in the following four kinds of reaction.
(1) It can have reaction with sodium amalgam, water for production of dihydro-resorcinol (1, 3-cyclohexanedione).

(2) It can generate ester with reaction with acid anhydride.

(3) It can react with hydroxylamine in a diketone type to generate oxime.

(4) In the action of concentrated sulfuric acid or zinc chloride, it can react with phthalic anhydride to generate fluorescent dye-fluorescent yellow.

8.7 Indications: It can be used for the treatment of seborrheic dermatitis, acne, superficial skin fungal infections, tinea versicolor, calluses, corns, and common warts.

8.8 Side effects: 1, it can cause contact dermatitis and has weak irritation effect on skin and mucous membrane. This product, when being absorbed through broken skin and wound surface in the large amount, can lead to myxedema.
2, because this product can be absorbed through the skin or ulcers, and thus is not suitable or being applied to infants and young children in high concentration and large-scale.
3, poisoning symptoms include diarrhea, nausea, vomiting, stomach pain, dizziness, severe or persistent headache, fatigue or weakness, being prone to excitement or irritability, sleepiness, sweating, bradycardia, and shortness of breath.
4, applying this product to the wound of children can lead to methaemoglobinaemia.
5, since this product has anti-thyroid effects, systemic effects is similar as phenol poisoning, but often accompanied with convulsions.

8.9 Precautions: 1, it can turn pale hair to black color; it can cause skin redness and scaling at a few days after treatment; take this drug with caution.
2, dark-skinned patients may be caused by its stimulation of pigment generation.
3, when being used in combination with soaps, cleansers, acne preparations, preparations containing alcohol or acid-dimensional A, it can cause skin irritation or excessive drying effect.
4, it has anti-thyroid effects; it can lead to myxedema upon long term use (especially used in ulcer surface).
5. This product is toxic and thus this product can’t subject to systemic or long-term use; avoid applying it to the broken skin wound in order to preventing poisoning.

8.10 Applications: Resorcinol is an important raw material for organic synthesis. It is mainly used as the raw material of rubber adhesives, raw analysis reagents, drugs and preservatives, dyes, synthetic resin. For example, eosin is an important triphenylmethane dye with red dying which is mainly used for yarn dyeing. It is made from the following process: first generate its intermediate fluorescent yellow thorough the co-heating between resorcinol and phthalic anhydride in the presence of zinc chloride or concentrated sulfuric acid, then apply tetra-bromination to generate it. Eosin is commonly used to produce red ink, also be used as biological material such as the staining agent for microscopic examination. If the intermediate fluorescent yellow is subject to bromination in acetic acid solution, only di-bromination can occur; further co-heating with mercuric acetate can obtain mercurochrome (also known as red mercury bromine) which is an important antiseptic disinfectant. It is easily soluble in water with its 2% aqueous solution being the daily-used “red syrup” for disinfection. The alcohol and acetone solution of mercurochrome may also be used for skin disinfection. Put resorcinol and hexanoic acid for acylation reaction and further reduction can generate 4-n-hexyl hydroquinone which is also a kind of disinfectant. In medicine, it is also used as a topical anti-itch agent and a digestive agent of the intestinal tract.; View all

8.11 Uses: 1. It can be used as the raw materials for the production of synthetic resins, adhesives, dyes and ultraviolet absorbing agent. It can also be used as the dipped cord of tire. Medically it can be used as the disinfection antiseptic agent.
2. Resorcinol is also known as 1, 3-hydroquinone. In the field of pesticides, it can be used as the intermediate 3-chloro-4-methyl coumarin and herbicide oxyfluorfen in the synthesis of pesticides coumaphos. It can also be used for the production of dyes, specialty coatings, pharmaceuticals, photographic material, synthetic resins, adhesives, and cosmetics.
3. Resorcinol is mainly used for the field of rubber adhesives, synthetic resins, dyes, preservative, pharmaceutical and analytical reagents. Resorcinol is similar with phenol and cresol. It can generate condensation polymer through the reaction with formaldehyde. It can be used for making glue silk and the adhesive agent of tire cord for nylon-purpose, making wood glue, and being as the adhesive for vinyl material and metal. Resorcinol is the intermediate of many kinds of azo dyes and fur dyes as well as the raw material of pharmaceutical intermediates, p-nitrogen salicylic acid. Resorcinol has bactericidal effects and can be used as preservatives for being supplied to cosmetics and dermatological drugs pastes and ointments. The resorcinol derivatives, β-methylumbelliferone can be used as the intermediate for optical bleach; tri-nitro resorcinol is detonator. There is also a considerable amount of resorcinol being used in the production of benzophenone-class ultraviolet absorbers. This product can irritate the skin and mucous membranes, can cause poisoning disease through the rapid absorption by the skin. Minimum lethal dose of rat being subject to subcutaneous injection is 450mg/kg.
4. It can be applied to the fields of photographic film, medicines, dyes and chemical fiber industry.
5. It can also be used as reagents for analysis.
6. It can be used for characterization and determination of zinc, lead, tartaric acid, nitrate and nitrite through colorimetric method; it can also applied to the colorimetric reaction for measuring sugar and Furfuryl alcohol; as the reagent for detecting ketone sugars and lignin; it can also applied to the salt reagent of diazonium compound as well as to organic synthesis.; View all

8.12 Production: 1. Benzene sulfonic acid is sulfonated with oleum; further go through neutralization, alkaline melting, acidification, n-butanol extraction, evaporation of the solvent, and distillation to obtain the finished products. 2. It can be produced through the hydrogenation of m-dinitrobenzene into m-phenylenediamine which is further subject to hydrolysis to get the finished product. 3. It can be produced from the hydrolysis of m-aminophenol. Resorcinol can also derived from benzene and propylene using peroxide di-isopropylbenzene method with the process being similar as isopropylbenzene production.
Put benzene, 65% fuming sulfuric acid and sodium sulfate separately into the reactor; control the reaction temperature at 75 ℃ to obtain the sulphonate. Then add anhydrous sodium sulfate to this sulphonate, stir and heat to 175 ℃ for dissolving it; Add sulfur trioxide at this temperature and continue the reaction for an additional 1.5h to generate di-sulphonate (with the content of benzene disulfonic acid being 75%). Use dilute alkali to neutralize the di-sulphonate and remove the excess amount of sulfate salt; the resulting sodium benzene di-sulfonate is gradually added into the molten sodium hydroxide 290 °C; raise the temperature to 325 °C within 15min and further dissolve the alkali melting substance in water; acidify it with sulfuric acid and extract with ether; evaporate the solvent to obtain the finished resorcinol products.; View all

8.13 Chemical Properties: Resorcinol is odorless.

8.14 Chemical Properties: crystals or powder

8.15 Chemical Properties: Resorcinol is a white crystalline solid with a characteristic odor and a sweetish taste. Turns pink on expo- sure to air or light, or contact with iron.

8.16 Occurrence: Reported found in roasted barley, cane molasses, beer, red wine, white wine, special wine and coffee.

8.17 Uses: Resorcinol is used in the manufacture of resorcinol–formaldehyde resins, resin adhesives, dyes, drugs, andexplosives; in tanning; in cosmetics; and in dyeing and printing textiles.

8.18 Uses: In very mild solutions, resorcinol is used as an anti-septic and soothing preparation for itchy skin. In slightly higher concentrations, resorcinol removes the top layer of the stratum corneum and is used particularly in cases of acne. In still higher concentrations, it can act as an aggressive surface skin exfoliant. Resorcinol can also be used as a preservative. While it is a beneficial skin care ingredient when used in low concentrations, it causes irritation in higher concentrations with a strong burning sensation and a reddening of the skin. used in high concentrations as a peel, resorcinol may cause a variety of problems, including swelling. It is is obtained from various resins.

8.19 Uses: A benzene derivative used as keratolytic and antiseborrheic. Also used in veterinary medicine as a topical antipruritic and antiseptic (has been used as intestinal antiseptic).

8.20 Uses: anthelmintic

8.21 Uses: An aromatic alcohol used as a chemical intermediate

8.22 Definition: ChEBI: A benzenediol that is benzene dihydroxylated at positions 1 and 3.

8.23 Indications: Resorcinol (resorcin), a phenol derivative, is less keratolytic than salicylic acid. This drug is an irritant and sensitizer and reported to be both bactericidal and fungicidal. Solutions containing 1% to 2% have been used in preparations for seborrhea, acne, and psoriasis.

8.24 Aroma threshold values: Detection: 6 to 40 ppm

8.25 Synthesis Reference(s): Tetrahedron Letters, 35, p. 8727, 1994 DOI: 10.1016/S0040-4039(00)78482-6

8.26 General Description: Very white crystalline solid that becomes pink on exposure to light if not completely pure. Burns although ignition is difficult. Density approximately 1.28 g / cm3. Irritating to skin and eyes. Toxic by skin absorption. Used to make plastics and pharmaceuticals.

8.27 Air & Water Reactions: Hygroscopic. Soluble in water.

8.28 Reactivity Profile: Resorcine is a weak organic acid. Incompatible with acetanilide, albumin, alkalis, antipyrine, camphor, iron salts, menthol, spirit nitrous ether, and urethane. Can react with oxidizing materials . Has a potentially explosive reaction with concentrated nitric acid [Lewis]. Turns pink on contact with iron.

8.29 Hazard: Irritant to skin and eyes. Questionable car- cinogen.

8.30 Health Hazard: Inhalation of vapors or dust causes irritation of respiratory tract. Ingestion causes burns of mucous membranes, severe diarrhea, pallor, sweating, weakness, headache, dizziness, tinnitus, shock, and severe convulsions; may also cause siderosis of the spleen and tubular injury to the kidney. Contact with eyes causes irritation. Can be absorbed from wounds or through unbroken skin, producing severe dermatitis, methemoglobinemia, cyanosis, convulsions, tachycardia, dyspnea, and death.

8.31 Health Hazard: The acute oral toxicity of resorcinol is moderate in most test animals. It is less toxic than phenol or catechol. Ingestion or skin absorption can cause methemoglobinemia, cyanosis, and convulsions. Vapors or dusts are irritant to mucous membranes. Contact with the skin or eyes can cause strong irritation. An amount of 100 mg caused severe irritation in rabbit eyes.
LD50 value, oral (rats): 301 mg/kg (NIOSH 1986).

8.32 Fire Hazard: Behavior in Fire: Containers may explode.

8.33 Contact allergens: Resorcinol is used in hairdressing as a modifier (or a coupler) of the PPD group of dyes. It is the least frequent sensitizer in hairdressers. It is also used in resins, in skin treatment mixtures, and for tanning. Severe cases of dermatitis due to resorcinol contained in wart preparations have been reported.

8.34 Biochem/physiol Actions: Resorcinol is an aromatic alcohol serves as an antiseptic. It reduces pain from painful nodules in patients suffering from Hidradenitis suppurativa (HS).

8.35 Safety Profile: Human poison by ingestion. Experimental poison by ingestion, intraperitoneal, parenteral, and subcutaneous routes. Moderately toxic experimentally by skin contact and intravenous routes. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. A skin and severe eye irritant. It can cause systemic poisoning by acting as both a blood and nerve poison. In a suitable solvent, this material can readily be absorbed through human skin and can cause local hyperemia, itching, dermatitis, edema, and corrosion associated with enlargement of regonal lymph glands as well as serious systemic disorders such as restlessness, methemoglobinemia, cyanosis, convulsions, tachycardia, dyspnea, and death. These same symptoms can be induced by ingestion of the material. For poisoning, treat symptomatically. Get medical advice. Used as a topical antiseptic and keratolytic agent. Combustible when exposed to heat or flame; can react with oxidming materials. To fight fEe, use water, CO2, dry chemical. Potentially explosive reaction with concentrated nitric acid. Incompatible with acetadde, alkalies, ferric salts, spirit nitrous ether, urethan. When heated to decomposition it emits acrid smoke and irritating fumes; View all

8.36 Usage: Resorcinol is used in the synthesis of pharmaceuticals and various organic compounds. It is likewise used in plasticizers and diazo dyes. It can be applied in the qualitative determination of ketoses in the Seliwanoff test. Resorcinol-formaldehyde resin has shown useful application in endodontic therapy in russian red. It is an indispensable element for spectrophotometric determination of nitrate concentrations in seawater.

8.37 Storage features: Treasury is ventilated, low temperature and dry; stored separately from oxidant

8.38 Potential Exposure: Resorcinol is weakly antiseptic; resorcinol compounds are used in the production of resorcinol-formaldehyde adhesives; or as an intermediate; in pharmaceuticals and hair dyes for human use. Major industrial uses are as adhesives in rubber products and tires, wood adhesive resins, and as ultraviolet absorbers in polyolefin plastics. Resorcinol is also a by-product of coal conversion and is a component of cigarette smoke. Thus, substantial opportunity exists for human exposure.

8.39 Carcinogenicity: Acute Toxicity. The primary signs of intoxication resemble those induced by phenol, and include initial stimulation of the CNS, followed by depression, renal glomerular and tubular degeneration, central hepatic necrosis, myocardial depression, pruritus, and reddening of the skin. Resorcinol has been reported to be less toxic than phenol or pyrocatechol by oral and dermal routes.
Resorcinol is a simple aromatic chemical (1,3-benzenediol) that has found widespread use, particularly as a coupler in hair dyes. Clinical experience clearly shows that resorcinol is a skin sensitizer, although several predictive tests have been negative. In a local lymph node assay performed in accordance with OECD Guideline 429, resorcinol was identified as a skin sensitizer.
Few reports of the toxicity of resorcinol have been published. Oral ingestion in humans may cause methemoglobinemia, cyanosis, and convulsions, whereas dermal exposure has been reported to cause dermatitis, hyperemia, and pruritus. Industrial inhalation exposures are rather rare, but could occur in any industry if the compound is heated beyond 300°F.
Pathology reported for humans includes anemia, marked siderosis of the spleen and marked tubular injury in the kidney, fatty changes of the liver, degenerative changes in the kidney, fatty changes of the heart muscle, moderate enlargement and pigmentation of the spleen, and edema and emphysema of the lungs.; View all

8.40 Shipping: UN2876 Resorcinol, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.

8.41 Purification Methods: Crystallise resorcinol from *benzene, toluene or *benzene/diethyl ether. The benzoate has m 117o. [Beilstein 6 IV 2069.]

8.42 Incompatibilities: Reacts with oxidizers, nitric acid; oil, ferric salts; methanol, acetanilide, albumin, antipyrene, alkalies, urethane, ammonia, amino compounds. Hygroscopic; absorbs moisture from the air.

8.43 Waste Disposal: Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations govern- ing storage, transportation, treatment, and waste disposal. Dissolve in a combustible solvent and incinerate.

9. Computational chemical data

Molecular Weight: 110.112g/mol
Molecular Formula: C₆H₆O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 110.036779430
Monoisotopic Mass: 110.036779430
Complexity: 64.9
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 40.5
Heavy Atom Count: 8
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAACASAkAAwBoAAAgCAACBCAAACAAAgIAAIiAAGCIgIJyKCERKAcAAlwBUImAeAYAQAAAAACAAAAAAAAAAQAAAAAAAAAAAAAA==

10. Question & Answer

What are the applications and potential risks of Resorcinol? Feb 16 2023
Resorcinol is an intermediate used in organic chemicals, dye manufacturing, and fur dyeing. It has significant value and appears as white crystalline or powdered form. It is soluble in water, ethanol,..
What are the Resorcinol Derivatives and Their Role in Skin Whitening? Oct 06 2022
When it comes to skin whitening agents, we are all familiar with VC and its derivatives, kojic acid, tranexamic acid, niacinamide, and more. However, in recent years, the Resorcinol derivatives have a..
What are the common uses of Resorcinol? Sep 28 2022
Resorcinol is an organic compound that plays an important role in various applications, making it an essential raw material in the pharmaceutical, dye, and plastic industries. It possesses unique char..
Is Resorcinol Harmful to the Human Body? Aug 02 2022
Resorcinol, also known as resorcin, is a product that many people have not heard of. It has excellent antibacterial and antipruritic effects. In the field of clinical medicine, especially in the treat..

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