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Substance Name: Hexenyl tiglate, (3Z)-
RN: 67883-79-8
UNII: 9S19N7N2QK
InChIKey: JNWQKXUWZWKUAY-JQEGGOPCSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H18-O2

Molecular Weight

  • 182.2612
 
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Names and Synonyms

Name of Substance

  • Hexenyl tiglate, (3Z)-

Synonyms

  • (E,Z)-2-Methyl-2-butenoic acid 3-hexenyl ester
  • AI3-35965
  • BRN 2961441
  • cis-3-Hexenyl tiglate
  • cis-3-Hexenyl-2-methyl-trans-2-butenoate
  • cis-Hex-3-ene-1-yl trans-2-methyl-2-butenoate
  • EINECS 267-554-5
  • UNII-9S19N7N2QK

Systematic Names

  • (Z)-3-Hexenyl 2-methylcrotonate
  • 2-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (E,Z)-

Registry Numbers

CAS Registry Number

  • 67883-79-8

FDA UNII

  • 9S19N7N2QK

System Generated Number

  • 0067883798

Structure Descriptors

InChI

1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+

InChIKey

JNWQKXUWZWKUAY-JQEGGOPCSA-N

Smiles

CC\C=C/CCOC(=O)\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. 809, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 809, 1979.