Products
  • Products
  • Cas lib
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed B   > Benzyl acetate

Benzyl acetate

Iupac Name:benzyl acetate
CAS No.:140-11-4
EINECS(EC#):205-399-7
Molecular Weight:150.17
Molecular Formula:C9H10O2 (Products with the same molecular formula)
MOL File:140-11-4.mol
Names and Identifiers
Synonyms

Benzyl ethanoateAcetic acid benzyl esterBenzyl acetate

Inchi
InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChkey
QUKGYYKBILRGFE-UHFFFAOYSA-N
Canonical Smiles
CC(=O)OCC1=CC=CC=C1
Properties
Appearance
Colorless liquid with an odor of pears.
Density
1.055
Melting Point
-51℃
Boiling Point
206℃
Vapour
0.164mmHg at 25°C
Refractive Index
1.501-1.503
Flash Point
102℃
Water
practically insoluble
Solubilities
practically insoluble
Color/Form
WATER-WHITE LIQUID
Stability
Stable under normal temperatures and pressures.
HS Code
29153950
Storage temp
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
Spectral properties
INDICES OF REFRACTION: 1.5232 @ 20 DEG C/D; 1.4998 @ 25 DEG C/D
IR: 3715 (Coblentz Society Spectral Collection)
UV: 260 (Sadtler Research Laboratories Spectral Collection)
NMR: 53 (Varian Associates NMR Spectra Catalogue)
MASS: 879 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
IR: 2:892C (Aldrich Library of Infrared Spectra, Aldrich Chemical Co, Milwaukee, WI)
NMR: 7:21A (Aldrich Library of Mass Spectra, Aldrich Chemical Co, Milwaukee, WI)
MASS: 4147 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Safety

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 1
RTECS: AF5075000

PackingGroup
Z01
Skin, Eye, and Respiratory Irritations
... Irritating to skin, eyes, respiratory tract.
Transport
2810
Fire Fighting Procedures
ALCOHOL FOAM, CARBON DIOXIDE.
Fire Potential
Combustible liquid.
Formulations/Preparations
FREE FROM CHLORINE GRADE WHICH SHOULD HAVE ESTER CONTENT OF 97% BUT FOR WHICH LOWER GRADE MATERIAL IS SOMETIMES SUBSTITUTED; TECHNICAL GRADE WHICH IS NOT FREE FROM CHLORINE & FOR WHICH ESTER CONTENT VARIES CONSIDERABLY; "FOOD CHEMICALS CODEX".
Exposure Standards and Regulations
Benzyl acetate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. Synthetic flavoring substances and adjuvants incl benzyl acetate may be safely used in foods.
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.
Protective Equipment and Clothing
... Irritating to skin, eyes, respiratory tract.
Specification

? Benzyl acetate (CAS NO.140-11-4), its Synonyms are Acetic acid, benzyl ester ; Acetic acid, phenylmethyl ester ; Benzyl ethanoate ; Benzylester kyseliny octove ; Phenylmethyl acetate ; Phenylmethyl ethanoate ; alpha-Acetoxytoluene .

Octanol/Water Partition Coefficient
log Kow = 1.96
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
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  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Chemical Inspection & Regulation Service Limited 2013
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED(FuJian Green Pine Co.,Ltd) 2016
FIRMENICH UK Ltd. 2015
more >
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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl acetate

1.2 Other means of identification

Product number -
Other names Acetic Acid Benzyl Ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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

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

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

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
benzyl acetate benzyl acetate 140-11-4 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. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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. Do NOT induce vomiting. Give one or two glasses of water to drink. Rest. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Harmful if inhaled. May be harmful if swallowed or absorbed through the skin. Vapor or mist is irritating to the eyes, mucous membrane and upper respiratory tract. (USCG, 1999)

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

Absorption, Distribution and Excretion

Benzyl acetate was absorbed from the gastrointestinal tract of rats and mice, with approximately 90% of the administered dose recovered as various metabolites in the urine within 24 hr. ... This capacity for absorption, metabolism, and disposition was unaffected by the amount or number of doses administered.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

ALCOHOL FOAM, CARBON DIOXIDE.

5.2 Specific hazards arising from the chemical

This chemical is 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

Ventilation. Cover the spilled material with earth or sand. Collect leaking and spilled liquid in covered containers as far as possible. Wash away remainder with plenty of water.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. 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

Separated from strong oxidants. Ventilation along the floor.

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 Colorless liquid with an odor of pears.
Colour WATER-WHITE LIQUID
Odour PEAR-LIKE ODOR
Melting point/ freezing point -1\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 206\u00b0C(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 95\u00b0C
Auto-ignition temperature 461.11\u00b0C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 22.78\u00b0C
Partition coefficient n-octanol/water (log value) log Kow = 1.96
Vapour pressure 23 mm Hg ( 110 \u00b0C)
Density and/or relative density 1.054g/mLat 25\u00b0C(lit.)
Relative vapour density 5.1 (Relative to Air)
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

Combustible liquid.BENZYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This chemical is incompatible with strong oxidizing agents. It is also incompatible with acids, bases and reducing agents.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

STABILITY: This chemical may be sensitive to light. Solutions of this chemical in water, DMSO, 95% ethanol or acetone should be stable for 24 hours under normal lab conditions.REACTIVITY: This chemical is incompatible with strong oxidizing agents. It is also incompatible with acids, bases and reducing agents.

10.6 Hazardous decomposition products

When heated to decomposition it emits irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: Rat (Osborne-Mendel) oral 2.49 g/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

Evaluation: No epidemiological data relevant to the carcinogenicity of benzyl acetate were available. There is limited evidence in experimental animals for the carcinogenicity of benzyl acetate. Overall evaluation: Benzyl acetate is not classifiable as to its carcinogenicity in humans (Group 3).

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: no data available
  • 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

Benzyl acetate reached 92 to 96% of its theoretical BOD over a period of 4 weeks using an activated sludge seed and an initial chemical concentration of 100 mg/l(1).

12.3 Bioaccumulative potential

An estimated BCF of 18 was calculated for benzyl acetate(SRC), using a log Kow of 1.96(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of benzyl acetate is estimated as approximately 180(SRC), using a log Kow of 1.96(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that benzyl acetate is expected to have moderate mobility in soil(SRC).

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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

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
benzyl acetate benzyl acetate 140-11-4 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 10, 2017
Revision Date Aug 10, 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:150.1745 [g/mol]
Molecular Formula:C9H10O2
XLogP3:2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:150.06808
MonoIsotopic Mass:150.06808
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Formal Charge:0
Complexity:126
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 Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:6