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Substance Name: Benzyl acetate
RN: 140-11-4
UNII: 0ECG3V79ZJ
InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • TWA (10 ppm); Not classifiable as a human carcinogen
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Names and Synonyms

Name of Substance

  • Acetic acid, phenylmethyl ester
  • Benzyl acetate
  • Phenylmethyl acetate

Synonyms

  • (Acetoxymethyl)benzene
  • Acetic acid, benzyl ester
  • Acetic acid, phenylmethyl ester
  • AI3-01996
  • alpha-Acetoxytoluene
  • Benzyl acetate
  • Benzyl acetate (natural)
  • Benzyl ethanoate
  • Benzylester kyseliny octove
  • Benzylester kyseliny octove [Czech]
  • Caswell No. 081EA
  • CCRIS 1423
  • EC 205-399-7
  • EINECS 205-399-7
  • FEMA No. 2135
  • HSDB 2851
  • NCI-C06508
  • NSC 4550
  • Phenylmethyl acetate
  • Phenylmethyl ethanoate
  • UNII-0ECG3V79ZJ

Systematic Names

  • Acetic acid, benzyl ester
  • Acetic acid, phenylmethyl ester
  • Benzyl acetate

Superlist Names

  • Acetic acid, benzyl ester
  • Benzyl acetate

Registry Numbers

CAS Registry Number

  • 140-11-4

FDA UNII

  • 0ECG3V79ZJ

System Generated Number

  • 0000140114

Structure Descriptors

InChI

1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

QUKGYYKBILRGFE-UHFFFAOYSA-N

Smiles

c1(COC(C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LC50 inhalation 245ppm/8H (245ppm)   AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.
cat LDLo skin 10gm/kg (10000mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: TREMOR
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
guinea pig LD50 oral 2200mg/kg (2200mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985.
guinea pig LDLo subcutaneous 3gm/kg (3000mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
human TCLo inhalation 50ppm (50ppm) BEHAVIORAL: ANTIPSYCHOTIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
"Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 31, 1961.
mouse LCLo inhalation 1300mg/m3/22H (1300mg/m3) BEHAVIORAL: GENERAL ANESTHETIC Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
mouse LD50 oral 830mg/kg (830mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985.
rabbit LD50 oral 2200mg/kg (2200mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(7), Pg. 17, 1985.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 875, 1973.
rabbit LDLo subcutaneous 4gm/kg (4000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
rat LD50 oral 2490mg/kg (2490mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.13E+01 deg C   EXP
Boiling Point 213 deg C   EXP
log P (octanol-water) 1.96 (none)   EXP
Water Solubility 3100 mg/L 25 EXP
Vapor Pressure 0.177 mm Hg 25 EXP
Henry's Law Constant 1.13E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.38E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.