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Substance Name: Butyl mandelate
RN: 14007-02-4
InChIKey: QLVXFMSPNHAPMO-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.255
 
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Names and Synonyms

Synonyms

  • AI3-01789
  • EINECS 237-810-0

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-, butyl ester
  • Butyl mandelate

Registry Numbers

CAS Registry Number

  • 14007-02-4

System Generated Number

  • 0014007024

Structure Descriptors

InChI

1S/C12H16O3/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3

InChIKey

QLVXFMSPNHAPMO-UHFFFAOYSA-N

Smiles

O=C([C@@H](c1ccccc1)O)OCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.020 (none)   EST
Water Solubility 3700 mg/L 37 EXP
Atmospheric OH Rate Constant 1.14E-11 cm3/molecule-sec 25 EST

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