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Substance Name: Geranyl tiglate
RN: 7785-33-3
UNII: CUP7SL28J8
InChIKey: OGHBUHJLMHQMHS-KRDNBFTESA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H24-O2

Molecular Weight

  • 236.353
 
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Names and Synonyms

Results Name

  • Geranyl tiglate

Name of Substance

  • Geranyl tiglate

Synonyms

  • 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-
  • AI3-36201
  • cis-alpha,beta-Dimethyl acrylic acid, geraniol ester
  • EINECS 232-078-9
  • Geranyl tiglate
  • Tiglic acid, geraniol ester
  • trans-3,7-Dimethyl-2,6-octadien-1-yl cis-alpha,beta-dimethyl acrylate
  • UNII-CUP7SL28J8

Systematic Names

  • (E)-3,7-Dimethyl-2,6-octadienyl 2-methylcrotonate
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 2-methyl-2-butenoate, (E,E,E)-
  • 2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E)-

Registry Numbers

CAS Registry Number

  • 7785-33-3

FDA UNII

  • CUP7SL28J8

System Generated Number

  • 0007785333

Structure Descriptors

InChI

1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+

InChIKey

OGHBUHJLMHQMHS-KRDNBFTESA-N

Smiles

O(C\C=C(\CC\C=C(\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. 12, Pg. 899, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 899, 1974.