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Substance Name: Validol
RN: 16409-46-4
InChIKey: FGHREPYEIHRUKM-UHFFFAOYSA-N

Note

  • Russian drug.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C15-H28-O2

Molecular Weight

  • 240.384
 
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Names and Synonyms

Name of Substance

  • Validol

Synonyms

  • 1-Isopropyl-4-methylcyclohex-2-yl 3-methylbutanoate
  • 2-06-00-00043 (Beilstein Handbook Reference)
  • 5-Methyl-2-(1-methylethyl)cyclohexyl 3-methylbutanoate
  • BRN 3200250
  • Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
  • EINECS 240-460-1
  • FEMA No. 2669
  • Menth-3-yl isovalerate
  • Menthyl 3-menthylbutyrate
  • Menthyl 3-methylbutanoate
  • Menthyl isopentanoate
  • Menthyl isovalerate
  • Menthyl isovalerianate
  • Mentyl isovalerate
  • P-Menth-3-yl isovalerate

Systematic Names

  • (1alpha,2beta,5alpha)-3-Methylbutanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
  • Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
  • Isovaleric acid, p-menth-3-yl ester (7CI)
  • Menthol, isovalerate
  • Menthyl isovalerate

Superlist Name

  • Menthyl isovalerate

Registry Numbers

CAS Registry Number

  • 16409-46-4

System Generated Number

  • 0016409464

Structure Descriptors

InChI

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

InChIKey

FGHREPYEIHRUKM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 735, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 735, 1982.