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Substance Name: Methyl mandelate
RN: 4358-87-6
InChIKey: ITATYELQCJRCCK-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • Methyl mandelate

Synonyms

  • AI3-01787
  • EINECS 212-240-5
  • EINECS 224-434-7

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-, methyl ester
  • Methyl (1)-glycolate
  • Methyl phenylglycolate

Registry Numbers

CAS Registry Number

  • 4358-87-6

Other Registry Number

  • 771-90-4

System Generated Number

  • 0004358876

Structure Descriptors

InChI

1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3

InChIKey

ITATYELQCJRCCK-UHFFFAOYSA-N

Smiles

COC(=O)C(c1ccccc1)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 58 deg C   EXP
log P (octanol-water) 0.540 (none)   EST
Atmospheric OH Rate Constant 7.09E-12 cm3/molecule-sec 25 EST

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