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Substance Name: Alpha-isomethylionone
RN: 127-51-5
UNII: 9XP4LC555B
InChIKey: JRJBVWJSTHECJK-PKNBQFBNSA-N

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.327
 
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Names and Synonyms

Name of Substance

  • Alpha-isomethylionone

Synonyms

  • 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one
  • AI3-36074
  • alpha-Cetone
  • alpha-Ionone, isomethyl-
  • Cetone alpha
  • EINECS 204-846-3
  • FEMA No. 2714
  • Isomethyl-alpha-ionone
  • Methyl-alpha-isoionone
  • NSC 66432
  • UNII-9XP4LC555B

Systematic Names

  • 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

Superlist Names

  • 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • Isomethylionone, alpha-

Registry Numbers

CAS Registry Number

  • 127-51-5

FDA UNII

  • 9XP4LC555B

System Generated Number

  • 0000127515

Structure Descriptors

InChI

1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+

InChIKey

JRJBVWJSTHECJK-PKNBQFBNSA-N

Smiles

C1([C@@H](\C=C(\C(C)=O)C)C(=CCC1)C)(C)C