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Substance Name: Methyl o-toluate
RN: 89-71-4
UNII: MC8KDB9FUW
InChIKey: WVWZECQNFWFVFW-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • Methyl o-toluate

Synonyms

  • AI3-02357
  • EINECS 201-932-2
  • Methyl 2-methylbenzoate
  • Methyl o-methylbenzoate
  • Methyl o-toluate
  • Methyl orthotoluate
  • NSC 9402
  • UNII-MC8KDB9FUW

Systematic Names

  • Benzoic acid, 2-methyl-, methyl ester
  • Methyl o-toluate
  • o-Toluic acid, methyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 89-71-4

FDA UNII

  • MC8KDB9FUW

System Generated Number

  • 0000089714

Structure Descriptors

InChI

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

InChIKey

WVWZECQNFWFVFW-UHFFFAOYSA-N

Smiles

O=C(OC)c1c(cccc1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.00E+01 deg C   EXP
Boiling Point 215 deg C   EXP
log P (octanol-water) 2.75 (none)   EXP
Water Solubility 340 mg/L 25 EST
Vapor Pressure 0.164 mm Hg 25 EST
Henry's Law Constant 3.83E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.99E-12 cm3/molecule-sec 25 EST

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