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Substance Name: o-Cresyl acetate
RN: 533-18-6
UNII: 606K99GR0L
InChIKey: AMZORBZSQRUXNC-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • o-Cresyl acetate

Synonyms

  • 2-Acetoxytoluene
  • 2-Methylphenyl acetate
  • Acetic acid, 2-methylphenyl ester
  • Acetic acid, o-tolyl ester
  • Acetoxytoluene, o-
  • Acetyl-o-cresol
  • AI3-04168
  • Cresylic acetate, o-
  • EINECS 208-556-8
  • FEMA No. 3072
  • Methylphenyl acetate, o-
  • NSC 58961
  • o-Cresol acetate
  • o-Cresyl acetate
  • o-Tolyl acetate
  • UNII-606K99GR0L

Systematic Names

  • Acetic acid, 2-methylphenyl ester
  • Acetic acid, o-tolyl ester (8CI)
  • o-Tolyl acetate

Superlist Name

  • Cresyl acetate, o-

Registry Numbers

CAS Registry Number

  • 533-18-6

FDA UNII

  • 606K99GR0L

System Generated Number

  • 0000533186

Structure Descriptors

InChI

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

InChIKey

AMZORBZSQRUXNC-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C)OC(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 208 deg C   EXP
log P (octanol-water) 1.93 (none)   EXP
Water Solubility 1700 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.