Isopulegone

  • Identifiers

    CAS mumber
    529-00-0

    Molecular formula
    C10H16O

    SMILES
    CC1CCC(C(=O)C1)C(=C)C

    Retention indicies (RI)

    • DB5: 1178.0

  • Properties

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

    Molecular weight
    152.23 g/mol

    Boiling points

    • 101.00 to 102.00 °C. @ 17.00 mm Hg

    Solubilities

    • slightly
    • insoluble in water; soluble in alcohol and oils
    • miscible (in ethanol)

  • Synonyms

    • Isopulegone
    • 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one
    • 529-00-0
    • Cyclohexanone, 5-methyl-2-(1-methylethenyl)-
    • p-menth-8-en-3-one
    • 29606-79-9
    • 5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one
    • 2-Isopropenyl-5-methylcyclohexanone #
    • (-)-trans-Isopulegone
    • SCHEMBL727954
    • CHEBI:37046
    • DTXSID40865498
    • (-)-trans-p-Menth-8-en-3-one
    • SAA88243
    • AKOS015907574
    • Cyclohexanone, 2-isopropylideno-5-methyl-
    • 5-methyl-2-(prop-1-en-2-yl)cyclohexanone
    • NS00096354
    • EN300-2968121
    • Q27117020
    • (2R-trans)-5-methyl-2-(1-methylethenyl)-cyclohexanone
1 3

Botanical

Name CAS Botanical Proportion
Celery seed (India) 3 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.16%
Satureja boliviana (Peru) 1 Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 5.45%
Satureja gilliesii Satureja gilliesii (Grah.) Briq., fam. Lamiaceae (Labiatae) 14.0%
Hesperozygis ringens (Brazil) Hesperozygis ringens (Benth.) Epling, fam. Lamiaceae (Labiatae) 1.2%
Hesperozygis rhododon (Brazil) Hesperozygis rhododon Epling, fam. Lamiaceae (Labiatae) 2.4%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.21%
Acinos suaveolens (Greece) 2 Acinos suaveolens (Sibt. et Smith) G. Don f., fam. Lamiaceae (Labiatae) 3.1%
Calamintha nepeta (Greece) 3 Calamintha nepeta (L.) Savi ssp. glandulosa (Req.) P.W.Ball,fam. Lamiaceae 0.7%
Plectranthus glandulosus (Cameroon) 2 Plectranthus glandulosus Hook f., fam. Lamiaceae (Labiatae) 1.8%
Lemongrass 3a 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 1.68%
Lemongrass 3b headspace neat oil 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 2.47%
Lemongrass 3c headspace heated oil 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.62%
Peppermint (Mexico) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.3%
Tanacetum khorassanicum (Iran) Tanacetum khorassanicum (Krasch.) Parsa, fam. Asteraceae (Compositae) 13.4%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.1%