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Substance Name: Hexyl isovalerate
RN: 10032-13-0
UNII: 5FJ2M7YCY6
InChIKey: RSDDTPVXLMVLQE-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Name of Substance

  • Hexyl isovalerate

Synonyms

  • 3-Methylbutyric acid hexyl ester
  • 4-02-00-00899 (Beilstein Handbook Reference)
  • AI3-33585
  • BRN 1759161
  • Butanoic acid, 3-methyl-, hexyl ester
  • EINECS 233-105-7
  • FEMA No. 3500
  • Hexyl 3-methyl butanoate
  • Hexyl 3-methylbutanoate
  • Hexyl 3-methylbutanoate (natural)
  • Hexyl isopentanoate
  • Hexyl isovalerate
  • Hexyl isovalerianate
  • Hexyl isovaleriate
  • Isovaleric acid, hexyl ester
  • n-Hexyl isopentanoate
  • UNII-5FJ2M7YCY6

Systematic Names

  • Butanoic acid, 3-methyl-, hexyl ester
  • Hexyl isovalerate
  • Isovaleric acid, hexyl ester (8CI)

Superlist Name

  • Hexyl isovalerate

Registry Numbers

CAS Registry Number

  • 10032-13-0

FDA UNII

  • 5FJ2M7YCY6

System Generated Number

  • 0010032130

Structure Descriptors

InChI

1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3

InChIKey

RSDDTPVXLMVLQE-UHFFFAOYSA-N

Smiles

O(C(CC(C)C)=O)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 353, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 353, 1988.