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Home> Hot Product Listed B   > Benzoic acid,4-hydroxy-, butyl ester

Benzoic acid,4-hydroxy-, butyl ester

CAS No.:94-26-8
EINECS(EC#):202-318-7
Molecular Weight:194.23
Molecular Formula:C11H14O3 (Products with the same molecular formula)
MOL File:94-26-8.mol
Properties
Appearance
white crystalline powder
Density
1.28
Melting Point
68-71℃
Boiling Point
156-157 °C at 3.5 mmHg(lit.)
Refractive Index
1.562
Flash Point
129.2 °C
Water
<0.1 g/100 mL at 17 ºC
Solubilities
<0.1 g/100 mL at 17 oC
Color/Form
Small, colorless crystals or powder
Crystalline powder
Finely divided solid
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, strong alkalies.
Storage temp
0-6°C
Spectral properties
SADTLER REFERENCE NUMBER: 5434 (IR, PRISM); 474 (IR, GRATING)
IR: 7454 (Coblentz Society Spectral Collection)
UV: 972 (Sadtler Research Laboratories Spectral Collection)
NMR: 1214 (Sadtler Research Laboratories Spectral Collection)
MASS: 8491 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version)
Intense mass spectral peaks: 121 m/z, 138 m/z, 194 m/z
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Safety

Poison by intraperitoneal route. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Risk Statements:
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements:
22:? Do not breathe dust?
24/25:? Avoid contact with skin and eyes?
WGK Germany: 2

Skin, Eye, and Respiratory Irritations
Butylparaben was a skin irritant in man.
Formulations/Preparations
Calcium and magnesium salts are available
Trade Names: Butoben, Butyl butex, Butyl chemosept, Butyl parasept, Butyl tegosept, Nipabutyl, Preserval B, Solbrol B, SPF, Tegosept B, and Tegosept butyl
Protective Equipment and Clothing
Butylparaben was a skin irritant in man.
Specification

?Butylparaben , its cas register number is 94-26-8. It also can be called p-Hydroxybenzoic acid butyl ester ; 4-(Butoxycarbonyl)phenol ; 4-Hydroxybenzoic acid butyl ester ; Butoben ; Butyl 4-hydroxybenzoate ; Butyl p-hydroxybenzoate ; Butyl parabens ; n-Butyl p-hydroxybenzoate ; n-Butylparaben ; 4-Hydroxybenzoic acid butyl ester ; and n-Butyl 4-hydroxybenzoate . 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, Butylparaben (CAS NO.94-26-8) is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide.

Octanol/Water Partition Coefficient
log Kow = 3.57
Report

Reported in EPA TSCA Inventory.

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.
Reach Info
MSDS

Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

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 Butylparaben

1.2 Other means of identification

Product number -
Other names Benzoic acid, 4-hydroxy-, butyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Flavouring Agent: FLAVOURING_AGENT Food Additives: PRESERVATIVE
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
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

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

Response

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.

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

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
Butylparaben Butylparaben 94-26-8 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound include skin sensitivity reactions, contact dermatitis, urticaria and angioedema. It can cause skin and eye irritation. Dilute solutions of this type of compound may be painful and cause irritation when applied to the eye. ACUTE/CHRONIC HAZARDS: This compound is a skin and eye irritant. When heated to decomposition it emits acrid smoke, irritating fumes and toxic fumes of carbon monoxide, carbon dioxide and phenolic vapor.

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

/SRP:/ 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 if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the 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. /Poisons A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however, it 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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Avoid breathing dust. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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

Keep container tightly closed in a dry and well-ventilated place.

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 white crystalline powder
Colour Small, colorless crystals or powder
Odour Odorless
Melting point/ freezing point 248\u00b0C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 156\u00b0C/3.5mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 104\u00b0C(lit.)
Auto-ignition temperature 495\u00b0C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 17.22\u00b0C
Partition coefficient n-octanol/water (log value) log Kow = 3.57
Vapour pressure 2.51X10-4 mm Hg at 25\u00b0C (est)
Density and/or relative density 1.28
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

N-BUTYL-P-HYDROXYBENZOATE is incompatible with strong oxidizing agents and strong caustics.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Strong oxidizing agents

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse (dd-strain) oral 13200 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: EC50; Species: Salmo trutta (Brown Trout) sexually immature organism; Conditions: freshwater, flow through, 13\u00b0C; Concentration: 68 ug/L for 10 days; Effect: biochemistry, increased vitellogenin
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Butylparaben may readily biodegrade in the environment based on the biodegradation data of the structurally-similar compound, methylparaben(SRC). Using a Zahn-Wellens test, which requires a 0.2 - 1.0 g/L dry inoculum and 50-400 dissolved organic carbon/L test concentration(1), methylparaben degraded 100% after 6 days with a 2 day acclimation period in a sludge inoculum(2). Average concentrations of 0.86, 0.04, 0.28 and 0.04 ng/L were reported for butylparaben in gray water from 32 residences and associated effluent from aerobic, anaerobic and anaerobic+aerobic biological treatment systems, respectively. Testing was done in August, 2008 in Sneek, The Netherlands. Butylparaben removal was postulated to be a combination of adsorption and biodegradation, with a 95.3% removal observed using aerobic treatment(3). Butylparaben, present at an average concentration of 140 ng/L, exhibited half-lives of 2.9 days and 9.6 hours using an activated sludge batch test and a real wastewater treatment plant test, respectively; sampling was conducted during April and May 2010 in a metropolitan area of northwest Spain(4).

12.3 Bioaccumulative potential

An estimated BCF of 100 was calculated in fish for butylparaben(SRC), using a log Kow of 3.57(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of butylparaben can be estimated to be 520(SRC). According to a classification scheme(2), this estimated Koc value suggests that butylparaben is expected to have low mobility in soil. The pKa of butylparaben is 8.47(3), indicating that this compound will exist partially in the anion form in the environment and anions generally 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: UN3261 IMDG: UN3261 IATA: UN3261

14.2 UN Proper Shipping Name

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

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

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
Butylparaben Butylparaben 94-26-8 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
product :
51-38-7
51-38-7
Computational chemical data

Molecular Weight:194.22706 [g/mol]
Molecular Formula:C11H14O3
XLogP3:3.6
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Tautomer Count:4
Exact Mass:194.094294
MonoIsotopic Mass:194.094294
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Formal Charge:0
Complexity:171
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 Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:77

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