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Substance Name: 2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
RN: 68133-73-3
InChIKey: UYYJNVGFCCTXSK-SDNWHVSQSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H26-O2

Molecular Weight

  • 238.368
 
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Names and Synonyms

Synonyms

  • (E)-3,7-Dimethyl-2,6-octadienoic acid isopentyl ester
  • EINECS 268-700-0
  • Isoamyl geranate

Systematic Names

  • 2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
  • 2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (E)-
  • 2,6-Octadienoic acid, 3,7-dimethyl-, isopentyl ester, (E)-
  • 3-Methylbutyl (E)-3,7-dimethylocta-2,6-dienoate

Registry Numbers

CAS Registry Number

  • 68133-73-3

System Generated Number

  • 0068133733

Structure Descriptors

InChI

1S/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3/b14-11+

InChIKey

UYYJNVGFCCTXSK-SDNWHVSQSA-N

Smiles

C(=C\C(OCCC(C)C)=O)(\CC\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 Cosmetics Toxicology. Vol. 17, Pg. 831, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 831, 1979.