Validol

CAS Registry Number®

28221-20-7

CAS Name

Validol

Molecular Formula

C15H28O2

Molecular Mass

240.38

Cite this Page

Validol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28221-20-7 (retrieved 2024-11-22) (CAS RN: 28221-20-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    0.9241 g/cm³ @ Temp: 15 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=VYQSSWZYPCCBRN-HZSPNIEDSA-N

SMILES

C(C)(C)[C@H]1[C@H](OC(CC(C)C)=O)C[C@H](C)CC1

Canonical SMILES

O=C(OC1CC(C)CCC1C(C)C)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
  • Menthol, isovalerate
  • Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1α,2β,5α)]-
  • Validol
  • Menthoval

View All

Deleted or Replaced CAS Registry Numbers

10403-25-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration