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Substance Name: p-Methylbenzyl acetate
RN: 2216-45-7
UNII: TA0024O8DI
InChIKey: WDCUPFMSLUIQBH-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-O2

Molecular Weight

  • 164.203
 
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Names and Synonyms

Name of Substance

  • p-Methylbenzyl acetate

Synonyms

  • 4-06-00-03173 (Beilstein Handbook Reference)
  • 4-Methylbenzenemethanol acetate
  • 4-Methylbenzyl acetate
  • 4-Methylbenzyl ethanoate
  • AI3-20661
  • BRN 2046163
  • EINECS 218-689-3
  • FEMA No. 3702
  • NSC 7001
  • p-Acetoxymethyltoluene
  • p-Methylbenzyl acetate
  • p-Methylbenzyl alcohol acetate
  • p-Tolubenzyl acetate
  • p-Xylene, alpha-acetoxy
  • p-Xylyl acetate
  • UNII-TA0024O8DI

Systematic Names

  • 4-Methylbenzyl acetate
  • Benzenemethanol, 4-methyl-, 1-acetate
  • Benzenemethanol, 4-methyl-, acetate
  • Benzyl alcohol, p-methyl-, acetate (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 2216-45-7

FDA UNII

  • TA0024O8DI

System Generated Number

  • 0002216457

Structure Descriptors

InChI

1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3

InChIKey

WDCUPFMSLUIQBH-UHFFFAOYSA-N

Smiles

O=C(OCc1ccc(cc1)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 79S, 1992.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 79S, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.44 (none)   EXP
Water Solubility 540 mg/L 25 EST
Vapor Pressure 0.062 mm Hg 25 EST
Henry's Law Constant 1.56E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.87E-12 cm3/molecule-sec 25 EST

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