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Home> Hot Product Listed P   > Pyrogallol

Pyrogallol

CAS No.:87-66-1
EINECS(EC#):201-762-9
Molecular Weight:126.11
Molecular Formula:C6H6O3 (Products with the same molecular formula)
MOL File:87-66-1.mol
Names and Identifiers
Synonyms

Pyrogallic acid~1,2,3-Trihydroxybenzene 1,2,3-Trihydroxybenene Pyrogallol solution Pyrogallic acid1,2,3-Benzenetriol 1,2,3-TrihydroxybenzenePyrogallol

Inchi
InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChkey
WQGWDDDVZFFDIG-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C(=C1)O)O)O
Properties
Appearance
odorless white to gray solid
Density
1.453
Melting Point
131-135℃
Boiling Point
309℃
Vapour
10 mm Hg ( 167.7 °C)
Refractive Index
n20/D 1.387
Flash Point
164.4 °C
Water
400 g/L (25℃)
Solubilities
400 g/L (25 °C) in water
Color/Form
WHITE CRYSTALINE SOLID
ORTHORHOMBIC
LEAFLETS OR NEEDLES
Stability
Stability Stable, but decolourises in light. Combustible. Incompatible with strong oxidising agents, alkalies, metal oxides, ammonia, antipyrine, phenol, iodine, lime water, menthol, potassium permanganate, strong bases.
Spectral properties
INDEX OF REFRACTION: 1.492 (ALPHA), 1.712 (GAMMA); AXIAL ANGLE: SMALL
SADTLER REFERENCE NUMBER: 8766 (IR, PRISM); 8542 (IR, GRATING); MAX ABSORPTION (ALCOHOL): 266 NM (LOG E= 2.92); INDEX OF REFRACTION: 1.561 AT 134 DEG C/D
IR: 5764 (Coblentz Society Spectral Collection)
UV: 2278 (Sadtler Research Laboratories Spectral Collection)
NMR: 3225 (Sadtler Research Laboratories Spectral Collection)
MASS: 68 (Aldermaston, Eight Peak Index of Mass Spectra, UK)
Safety and Handling
Hazard Codes
Xn:Harmful
Risk Statements
R20/21/22;R52/53;R68
Safety Statements
S36/37;S61
HazardClass
6.1
Safety

Hazard Codes:?HarmfulXn
Risk Statements: 20/21/22-52/53-68-40?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R68:Possible risk of irreversible effects.?
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-24/25-61-36/37?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.?
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: UX2800000
F: 8
HazardClass: 6.1
PackingGroup: III

PackingGroup
III
Sensitive
Light Sensitive
Skin, Eye, and Respiratory Irritations
DUST /IS/ IRRITATING TO EYES, NOSE & THROAT. IF INHALED WILL CAUSE COUGHING & DIFFICULT BREATHING. SOLID /IS/ IRRITATING TO SKIN & EYES.
Transport
UN 1814/2811
Fire Fighting Procedures
Combustible. Extinguish with water, dry chemicals, foam, or carbon dioxide.
Formulations/Preparations
From Harshaw Chemical: pure crystal, pure powder, resublimed, technical grade
Exposure Standards and Regulations
Certification of this color additive when used as a color additives is not necessary for the protection of the public health and therefore batches thereof are exempt from the requirements of section 706(c) of the Federal Food, Drug, and Cosmetic Act.
Reactivities and Incompatibilities
Incompatible with alkalies; NH3; antipyrine; phenol; iron and lead salts; iodine; and KMnO4.
Other Preventative Measures
VENTILATION CONTROL: BASIC...METHODS ARE LOCAL EXHAUST...& DILUTION OR GENERAL VENTILATION.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
Protective Equipment and Clothing
DUST /IS/ IRRITATING TO EYES, NOSE & THROAT. IF INHALED WILL CAUSE COUGHING & DIFFICULT BREATHING. SOLID /IS/ IRRITATING TO SKIN & EYES.
Specification

?Pyrogallol , its cas register number is 87-66-1. It also can be called 1,2,3-Benzenetriol ; 1,2,3-Trihydroxybenzene ; C.I. 76515 .It is a?odorless white to gray solid. It sinks and mixes with water. Its reactions turns gray on exposure to light or air.

Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
A) Dissolve in a flammable solvent and burn in the furnace with afterburner. B) Soak in paper or other flammable materials and burn in the furnace with afterburner. Recommendable methods: Incineration & use as a boiler fuel. Peer review: Dissolve in light fuel oil. (Peer-review conclusions of an IRPTC expert consultation (May 1985))
1. Liquid acid may be injected at base of incinerator or after mixing with a flammable solvent. Afterburner is suggested for complete combustion. 2. A solid acid may be dissolved in a flammable solvent and burned as above. 3. Solid acid may be packaged in paper or other flammable material and burned in an incinerator.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name pyrogallol

1.2 Other means of identification

Product number -
Other names PYROGALL

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

Germ cell mutagenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

H341 Suspected of causing genetic defects

H412 Harmful to aquatic life with long lasting effects

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
pyrogallol pyrogallol 87-66-1 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Seek medical attention if you feel unwell.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation of dust causes irritation of nose and throat. Ingestion may cause severe gastrointestinal irritation, convulsions, circulatory collapse, and death. Contact with eyes causes irritation. Skin contact can cause local discoloration, irritation, eczema, and death; repeated contact can cause sensitization. (USCG, 1999)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Phenols and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Water. Foam. Dry powder. Carbon dioxide.

5.2 Specific hazards arising from the chemical

This compound is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Do NOT let this chemical enter the environment. Sweep spilled substance into containers; if appropriate, moisten first to prevent dusting. Carefully collect remainder, then remove to safe place.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from strong oxidants and strong bases./Store/ separated from strong oxidants, strong bases.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state odorless white to gray solid
Colour White, lustrous crystals or plates
Odour Odorless
Melting point/ freezing point 247\u00b0C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 309\u00b0C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 63\u00b0C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:400 g/L (25 \u00baC)
Partition coefficient n-octanol/water (log value) log Kow = 0.97 (est)
Vapour pressure 10 mm Hg ( 167.7 \u00b0C)
Density and/or relative density 1.453
Relative vapour density 4.4 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

BECOMES GRAYISH ON EXPOSURE TO AIR & LIGHT; AQ SOLN DARKENS ON EXPOSURE TO AIR, QUITE RAPIDLY WHEN ALKALINE

10.3 Possibility of hazardous reactions

CombustiblePYROGALLIC ACID is a strong reducing agent. Reacts with alkalis, NH3, antipyrine, camphor, phenol, iron and lead salts, iodine, lime water, menthol and KMnO4.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

The solution in water is a weak acid. Reacts with oxidants and bases.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 300 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Brachydanio rerio (zebra fish); Concentration: 41.8 mg/L for 96 hr /Conditions of bioassay not specified
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (water flea, age <72 hr); Conditions: freshwater, static, 22\u00b0C, pH 7-7.8, conductivity 160-180 umhos/cm; Concentration: >100000 ug/L for 2 hr; Effect: intoxication, immobilization /active ingredient
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: An aerobic biodegradation study of pyrogallic acid at an initial concentration of 500 ppm, based on BOD measurements, and using an activated sludge inoculum of 5230, 3310, and 6640 ppm, indicated 24, 16, and 23% theoretical BOD, respectively, over a period of 0.5 days(1). An aerobic biodegradation study of pyrogallic acid, based on BOD measurements, using a sewage inoculum at 20\u00b0C and an unknown pyrogallic acid initial concentration, indicated 2% BODT, over a period of 5 days(2). An aerobic biodegradation study of pyrogallic acid, based on COD measurements, using an activated sludge inoculum of 100 mg/L and an initial pyrogallic acid concentration of 200 ppm, indicated 40% COD removal over a period of 5 days at pH 7.2 and 20\u00b0C(3). An aerobic biodegradation study of pyrogallic acid, based on COD measurements, using an activated sludge inoculum and an initial pyrogallic acid concentration of 200 ppm, indicated 0, 23, 35, 45, 57, 70, 70, 70, and 69 percent COD removal after 0, 2.5, 5, 10, 20, 30, 40, 50, 60, 63 days, respectively(4).

12.3 Bioaccumulative potential

An estimated BCF of 3.2 was calculated for pyrogallic acid(SRC), using an estimated log Kow of 0.97(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of pyrogallic acid can be estimated to be 320(SRC). According to a classification scheme(2), this estimated Koc value suggests that pyrogallic acid is expected to have moderate mobility in soil. The pKa of pyrogallic acid is 9.01(3), indicating that this compound will partially exist in the anion form in the environment and anions do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
pyrogallol pyrogallol 87-66-1 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:126.11004 [g/mol]
Molecular Formula:C6H6O3
XLogP3:0.5
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:11
Exact Mass:126.031694
MonoIsotopic Mass:126.031694
Topological Polar Surface Area:60.7
Heavy Atom Count:9
Formal Charge:0
Complexity:84.3
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1