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Substance Name: 2-Butenoic acid, 2-methyl-, (2E)-, mixed (2E)-3,7-dimethyl-2,6-octadien-1-yl and 3,7-dimethyl-6-octen-1-yl esters
RN: 73018-41-4
InChIKey: CEGXUASPYJDUFQ-DVRHFEHJSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • Unspecified

Molecular Weight

  • 404.587
 
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Names and Synonyms

Synonym

  • Tiglic acid chloride, reaction product with citronellol and geraniol

Systematic Names

  • 2-Butenoic acid, 2-methyl-, (2E)-, mixed (2E)-3,7-dimethyl-2,6-octadien-1-yl and 3,7-dimethyl-6-octen-1-yl esters
  • 2-Butenoic acid, 2-methyl-, (2E)-, mixed (2E)-3,7-dimethyl-2,6-octadienyl and 3,7-dimethyl-6-octenyl esters
  • 2-Butenoic acid, 2-methyl-, (E)-, mixed (E)-3,7-dimethyl-2,6-octadienyl and 3,7-dimethyl-6-octenyl esters

Registry Numbers

CAS Registry Number

  • 73018-41-4

System Generated Number

  • 0073018414

Structure Descriptors

InChI

1S/C25H40O4/c1-19(2)10-8-12-21(5)14-16-28-24(26)18-23(7)25(27)29-17-15-22(6)13-9-11-20(3)4/h10-11,15,18,21H,8-9,12-14,16-17H2,1-7H3/b22-15+,23-18+/t21-/m1/s1

InChIKey

CEGXUASPYJDUFQ-DVRHFEHJSA-N

Smiles

C[C@H](CCC=C(C)C)CCOC(=O)/C=C(\C)/C(=O)OC/C=C(\C)/CCC=C(C)C