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Substance Name: alpha-Irone
RN: 79-69-6
UNII: O3M0L879K6
InChIKey: JZQOJFLIJNRDHK-CMDGGOBGSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.327
 
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Names and Synonyms

Name of Substance

  • alpha-Irone

Synonyms

  • 2,6-cis-(2(1),2(2))-alpha-Ionone, cis-
  • 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
  • 4-(2,5,6,6-Tetramethyl-2-cyclo-hexen-1-yl)-3-buten-2-one
  • 5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one
  • 6-Methyl-alpha-ionone
  • AI3-36190
  • alpha-Inone, methyl- (6CI)
  • alpha-Ionone, methyl-
  • alpha-Irone
  • BRN 1343498
  • Cyclocitrylidenebutanone, alpha-
  • Cyclocitrylidenemethyl ethyl ketone, alpha-
  • EINECS 201-219-6
  • FEMA No. 2597
  • Methyl alpha-ionone
  • Methyl-alpha-ionone
  • UNII-O3M0L879K6

Systematic Names

  • 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
  • 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-one

Superlist Name

  • Irone, alpha-

Registry Numbers

CAS Registry Number

  • 79-69-6

FDA UNII

  • O3M0L879K6

Other Registry Number

  • 54082-69-8

System Generated Number

  • 0000079696

Structure Descriptors

InChI

InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+

InChIKey

JZQOJFLIJNRDHK-CMDGGOBGSA-N

Smiles

CC1CC=C(C)C(\C=C\C(=O)C)C1(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 4.710 (none)   EST
Atmospheric OH Rate Constant 1.45E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.