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Substance Name: Phenyl acetate
RN: 122-79-2
UNII: 355G9R500Y
InChIKey: IPBVNPXQWQGGJP-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.1492
 
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Names and Synonyms

Name of Substance

  • Phenyl acetate

MeSH Heading

  • Acetates

Synonyms

  • 4-06-00-00613 (Beilstein Handbook Reference)
  • Acetic acid, phenyl ester
  • Acetyl phenol
  • Acetylphenol
  • AI3-01972
  • BRN 0636458
  • EC 204-575-0
  • EINECS 204-575-0
  • Fenylester kyseliny octove
  • Fenylester kyseliny octove [Czech]
  • HSDB 2667
  • NSC 27795
  • o-Acetylphenol
  • Phenol acetate
  • Phenyl acetate
  • Phenylacetate
  • UNII-355G9R500Y

Systematic Names

  • Acetic acid, phenyl ester
  • Phenyl acetate

Registry Numbers

CAS Registry Number

  • 122-79-2

FDA UNII

  • 355G9R500Y

System Generated Number

  • 0000122792

Structure Descriptors

InChI

1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

IPBVNPXQWQGGJP-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 8mL/kg (8mL/kg)   Union Carbide Data Sheet. Vol. 11/4/1964,
rat LD50 oral 1630uL/kg (1.63mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.00E+01 deg C   EXP
Boiling Point 196 deg C   EXP
log P (octanol-water) 1.49 (none)   EXP
Water Solubility 4640 mg/L 25 EST
Henry's Law Constant 6.48E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.05E-12 cm3/molecule-sec 25 EST

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