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Substance Name: Propanoic acid, 2-methyl-, 3-hexenyl ester
RN: 57859-47-9
InChIKey: OSMAJVWUIUORGC-WAYWQWQTSA-N

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.25
 
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Names and Synonyms

Synonyms

  • 3-02-00-00651 (Beilstein Handbook Reference)
  • 3-Hexenyl 2-methypropanoate
  • 3-Hexenyl isobutanoate
  • 3-Hexenyl isobutyrate
  • BRN 1759547
  • EINECS 260-993-3

Systematic Names

  • Hex-3-enyl isobutyrate
  • Propanoic acid, 2-methyl-, 3-hexenyl ester
  • Propanoic aicd, 2-methyl-, 3-hexenyl ester

Registry Numbers

CAS Registry Number

  • 57859-47-9

System Generated Number

  • 0057859479

Structure Descriptors

InChI

1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-

InChIKey

OSMAJVWUIUORGC-WAYWQWQTSA-N

Smiles

C(\CC)=C/CCOC(=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 25gm/kg (25000mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
rat LD50 oral > 25gm/kg (25000mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.