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Substance Name: p-Cresyl acetate
RN: 140-39-6
UNII: 42I5PWW20C
InChIKey: CDJJKTLOZJAGIZ-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • p-Cresyl acetate

Synonyms

  • 4-06-00-02112 (Beilstein Handbook Reference)
  • 4-Acetoxytoluene
  • 4-Methylbenzoic acid methyl ester
  • 4-Methylphenyl acetate
  • 4-Tolyl acetate
  • Acetic acid, 4-methylphenyl ester
  • Acetic acid, p-tolyl ester
  • AI3-01266
  • BRN 1908125
  • Cresyl acetate
  • Cresylic acetate, p-
  • EINECS 205-413-1
  • FEMA No. 3073
  • Narceol
  • NSC 43244
  • p-Acetoxytoluene
  • p-Cresol acetate
  • p-Cresyl acetate
  • p-Methylphenyl acetate
  • p-Tolyl acetate
  • p-Tolyl ethanoate
  • Paracresyl acetate
  • UNII-42I5PWW20C

Systematic Names

  • Acetic acid, 4-methylphenyl ester
  • Acetic acid, p-tolyl ester
  • p-Tolyl acetate

Superlist Name

  • Cresyl acetate, p-

Registry Numbers

CAS Registry Number

  • 140-39-6

FDA UNII

  • 42I5PWW20C

System Generated Number

  • 0000140396

Structure Descriptors

InChI

1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3

InChIKey

CDJJKTLOZJAGIZ-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2100mg/kg (2100mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 391, 1974.
rat LD50 oral 1900mg/kg (1900mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 391, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 212.5 deg C   EXP
log P (octanol-water) 2.11 (none)   EXP
Water Solubility 1200 mg/L 25 EST
Vapor Pressure 0.164 mm Hg 25 EST
Henry's Law Constant 7.15E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.92E-12 cm3/molecule-sec 25 EST

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