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Substance Name: 1-Octen-3-yl butyrate
RN: 16491-54-6
UNII: H8J989X4KJ
InChIKey: LZWFXVJBIZIHCH-UHFFFAOYSA-N

Molecular Formula

  • C12-H22-O2

Molecular Weight

  • 198.304
 
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Names and Synonyms

Name of Substance

  • 1-Octen-3-yl butyrate

Synonyms

  • 1-Ethenylhexyl butanoate
  • 1-Octen-3-ol butyrate
  • 1-Octen-3-yl butyrate
  • 1-Pentylallyl butyrate
  • 1-Vinylhexyl butyrate
  • AI3-33187
  • BRN 1935498
  • Butanoic acid, 1-ethenylhexyl ester
  • Butyric acid, 1-pentylallyl ester
  • EINECS 240-555-8
  • FEMA No. 3612
  • UNII-H8J989X4KJ

Systematic Names

  • 1-Pentylallyl butyrate
  • Butanoic acid, 1-ethenylhexyl ester
  • Butyric acid, 1-pentylallyl ester (7CI,8CI)
  • Butyric acid, 1-vinylhexyl ester

Superlist Name

  • 1-Octen-3-yl butyrate

Registry Numbers

CAS Registry Number

  • 16491-54-6

FDA UNII

  • H8J989X4KJ

System Generated Number

  • 0016491546

Structure Descriptors

InChI

1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3

InChIKey

LZWFXVJBIZIHCH-UHFFFAOYSA-N

Smiles

O([C@@H](CCCCC)C=C)C(CCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3424mg/kg (3424mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.