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Substance Name: 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone
RN: 43052-87-5
UNII: UP5JTZ982I
InChIKey: CRIGTVCBMUKRSL-FNORWQNLSA-N

Note

  • Used in skin testing for immune competence.

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Name of Substance

  • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone

Synonyms

  • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one
  • alpha-Damascone
  • Damascone
  • FEMA No. 3659
  • TMCHB
  • UNII-UP5JTZ982I

Systematic Name

  • 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

Superlist Name

  • Damascone, alpha-

Registry Numbers

CAS Registry Number

  • 43052-87-5

FDA UNII

  • UP5JTZ982I

System Generated Number

  • 0043052875

Structure Descriptors

InChI

InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+

InChIKey

CRIGTVCBMUKRSL-FNORWQNLSA-N

Smiles

C\C=C\C(=O)C1C(=CCCC1(C)C)C