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Substance Name: Menthyl valerate
RN: 89-47-4
UNII: E6QE751102
InChIKey: VYQSSWZYPCCBRN-HZSPNIEDSA-N

Molecular Formula

  • C15-H28-O2

Molecular Weight

  • 240.3842
 
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Names and Synonyms

Results Name

  • Menthyl valerate

Name of Substance

  • Menthyl isovalerate, (+/-)-

Synonyms

  • EINECS 201-910-2
  • Menthyl valerate
  • UNII-E6QE751102

Systematic Names

  • Butanoic acid, 3-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-
  • Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-
  • Menthyl valerate

Registry Numbers

CAS Registry Number

  • 89-47-4

FDA UNII

  • E6QE751102

Other Registry Number

  • 8003-25-6

System Generated Number

  • 0000089474

Structure Descriptors

InChI

1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1

InChIKey

VYQSSWZYPCCBRN-HZSPNIEDSA-N

Smiles

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(C)C)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 5.790 (none)   EST
Atmospheric OH Rate Constant 2.14E-11 cm3/molecule-sec 25 EST

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