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Substance Name: alpha damascone
RN: 23726-94-5
UNII: K75Q978U9D
InChIKey: CRIGTVCBMUKRSL-ALCCZGGFSA-N

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-buten-1-one
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,
  • alpha damascone
  • Damascone, alpha

Synonyms

  • cis-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • EINECS 245-845-8
  • UNII-K75Q978U9D

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 23726-94-5

FDA UNII

  • K75Q978U9D

Other Registry Number

  • 57549-93-6

System Generated Number

  • 0023726945

Structure Descriptors

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-ALCCZGGFSA-N

Smiles

O=C(\C=C/C)[C@@H]1C(=CCCC1(C)C)C