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Substance Name: Methyl 3-toluate
RN: 99-36-5
InChIKey: CPXCDEMFNPKOEF-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • Methyl 3-toluate

Synonyms

  • AI3-24382
  • EINECS 202-753-2
  • meta-Toluic acid, methyl ester
  • Methyl 3-methylbenzoate
  • Methyl 3-toluate
  • Methyl m-methylbenzoate
  • Methyl m-toluate
  • NSC 20004

Systematic Names

  • Benzoic acid, 3-methyl-, methyl ester
  • m-Toluic acid, methyl ester (8CI)
  • Methyl m-toluate

Registry Numbers

CAS Registry Number

  • 99-36-5

System Generated Number

  • 0000099365

Structure Descriptors

InChI

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

InChIKey

CPXCDEMFNPKOEF-UHFFFAOYSA-N

Smiles

COC(=O)c1cccc(C)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 221 deg C   EXP
log P (octanol-water) 2.77 (none)   EXP
Water Solubility 326 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 1.48E-12 cm3/molecule-sec 25 EST

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