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Substance Name: Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
RN: 16491-24-0
InChIKey: CVYBRMSQMLJGOI-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-O2

Molecular Weight

  • 168.234
 
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Names and Synonyms

Synonyms

  • 2,4-Hexadienyl 2-methylpropanoate
  • 2,4-Hexadienyl isobutyrate
  • 2-Methylpropanoic acid 2,4-hexadienyl ester
  • 3,5-Hexadienyl isobutyrate
  • AI3-32966
  • EINECS 240-551-6
  • Isobutyric acid, 2,4-hexadienyl ester
  • NSC 195147
  • Propanoic acid, 2-methyl-, 2,4-hexadienyl ester
  • Sorbyl isobutyrate

Systematic Names

  • Hexa-2,4-dienyl isobutyrate
  • Isobutyric acid, 2,4-hexadienyl ester (8CI)
  • Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
  • Propanoic acid, 2-methyl-, 2,4-hexadienyl ester

Registry Numbers

CAS Registry Number

  • 16491-24-0

System Generated Number

  • 0016491240

Structure Descriptors

InChI

1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3

InChIKey

CVYBRMSQMLJGOI-UHFFFAOYSA-N

Smiles

O=C(OC\C=C/C=C\C)C(C)C

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. 339, 1988.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 339, 1988.