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Substance Name: Hexyl 2-methylbutyrate
RN: 10032-15-2
UNII: UI17LL5Q4P
InChIKey: YUECNVSODFDKOQ-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Name of Substance

  • Hexyl 2-methylbutyrate

Synonyms

  • 2-Methylbutanoic acid, n-hexyl ester
  • AI3-33623
  • BRN 1856407
  • Butanoic acid, 2-methyl-, hexyl ester
  • Butyric acid, 2-methyl-, hexyl ester
  • EINECS 233-106-2
  • FEMA No. 3499
  • Hexyl 2-methylbutanoate
  • Hexyl 2-methylbutanoate (natural)
  • Hexyl 2-methylbutyrate
  • UNII-UI17LL5Q4P

Systematic Names

  • Butanoic acid, 2-methyl-, hexyl ester
  • Butyric acid, 2-methyl-, hexyl ester
  • Hexyl 2-methylbutyrate

Superlist Name

  • Hexyl 2-methylbutyrate

Registry Numbers

CAS Registry Number

  • 10032-15-2

FDA UNII

  • UI17LL5Q4P

Other Registry Number

  • 144810-17-3

System Generated Number

  • 0010032152

Structure Descriptors

InChI

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

InChIKey

YUECNVSODFDKOQ-UHFFFAOYSA-N

Smiles

C(OCCCCCC)([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. 721, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 721, 1982.