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Substance Name: Geranyl isobutyrate
RN: 2345-26-8
UNII: P6D2F72907
InChIKey: OGJYXQFXLSCKTP-UKTHLTGXSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H24-O2

Molecular Weight

  • 224.342
 
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Names and Synonyms

Name of Substance

  • Geranyl isobutyrate

Synonyms

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-
  • 3,7-Dimethyl-2,6-octadien-1-yl 2-methylpropanoate, trans-
  • 3,7-Dimethyl-2,6-octadien-1-yl isobutyrate, trans-
  • 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (E)-
  • 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-
  • AI3-32667
  • EINECS 219-062-7
  • FEMA No. 2513
  • Geranyl 2-methylpropanoate
  • Geranyl isobutyrate
  • Geranyl isobutyrate (natural)
  • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
  • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-
  • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)
  • trans-3-7-Dimethyl-2,6-octadienyl isobutyrate
  • UNII-P6D2F72907

Systematic Names

  • Geranyl isobutyrate
  • Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
  • Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
  • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
  • Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)

Superlist Name

  • Geranyl isobutyrate

Registry Numbers

CAS Registry Number

  • 2345-26-8

FDA UNII

  • P6D2F72907

System Generated Number

  • 0002345268

Structure Descriptors

InChI

1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+

InChIKey

OGJYXQFXLSCKTP-UKTHLTGXSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 451, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 451, 1975.