alpha-Irone

  • Identifiers

    CAS mumber
    79-69-6

    Molecular formula
    C14H22O

    SMILES
    CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C

  • Properties

    XLogP3-AA
    3.2 Well soluble in DEP, BB, MMB

    Molecular weight
    206.32 g/mol

    Melting points

    • < 25 °C

    Boiling points

    • 110.00 to 112.00 °C. @ 3.00 mm Hg

    Solubilities

    • 110 mg/L @ 20 °C (exp)
    • 1 ml in 4 ml 70% alcohol (in ethanol)

  • Synonyms

    • alpha-Irone
    • Irone
    • Methyl alpha-ionone
    • 79-69-6
    • 6-Methyl-alpha-ionone
    • 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
    • alpha-Iron
    • 6-Methyl ionone
    • 4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-one
    • 4-(2,5,6,6-Tetramethyl-2-cyclo-hexen-1-yl)-3-buten-2-one
    • 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • CHEBI:10284
    • alpha-Ionone, methyl-
    • (3E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
    • Irone, alpha-
    • |A-irone
    • 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
    • FEMA No. 2597
    • Cyclocitrylidenebutanone, alpha-
    • alpha-Inone, methyl-
    • EINECS 201-219-6
    • DTXSID4047042
    • BRN 1343498
    • UNII-O3M0L879K6
    • alpha-Inone, methyl- (6CI)
    • AI3-36190
    • Cyclocitrylidenemethyl ethyl ketone, alpha-
    • alpha -irone
    • 2,6-cis-(2(1),2(2))-alpha-Ionone, cis-
    • Irone .alpha. b
    • Methyl-alpha-inone
    • alpha -methyl-ionone
    • Methyl-alpha -ionone
    • 6-Methyl-alpha -ionone
    • alpha 6-Methyl--Ionone
    • Ionone 6-Methyl, alpha
    • alpha-Cyclocitrylidenebutanone
    • SCHEMBL158416
    • CHEMBL3183603
    • FEMA 2597
    • DTXCID10196549
    • O3M0L879K6
    • Tox21_302306
    • AKOS040759698
    • alpha-Cyclocitrylidenemethyl ethyl ketone
    • CAS-79-69-6
    • NCGC00256241-01
    • CS-0672086
    • cis-2,6-cis-(2(1),2(2))-alpha-Ionone
    • G90017
    • Q27108610
    • 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one, 9CI
    • (3E)-4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one #
1 3

Botanical

Name CAS Botanical Proportion
Thymus satureoides (Morocco) 8007-46-3 Thymus satureoides Boiss. et Reut., fam. Lamiaceae (Labiatae) 0.25%