Pulegenone

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  • Identifiers

    CAS number
    5587-79-1

    Molecular formula
    C9H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Mint 67.29%
    Herbal 58.31%
    Camphoreous 45.45%
    Woody 39.9%
    Spicy 36.22%
    Cooling 33.43%
    Ketonic 32.54%
    Phenolic 31.36%
    Caramellic 30.71%
    Tobacco 30.23%

     

    Flavor
    Herbal 47.16%
    Minty 42.38%
    Spice 30.33%
    Bitter 27.56%
    Spicy 27.51%
    Mint 26.98%
    Celery 23.04%
    Herb 22.71%
    Fresh 22.3%
    Peppermint 21.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.58 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 62.9 ˚C est.

  • Synonyms

    • PULEGENONE
    • 5587-79-1
    • 5-methyl-2-(propan-2-yl)cyclopent-2-en-1-one
    • 2-Isopropyl-5-methyl-2-cyclopentene-1-one
    • 2-isopropyl-5-methyl-cyclopent-2-enone
    • CHEBI:178178
    • DTXSID701245517
    • 5-methyl-2-propan-2-ylcyclopent-2-en-1-one
    • 5-Methyl-2-(1-methylethyl)-2-cyclopenten-1-one
    • 5-Methyl-2-(1-methylethyl)-2-cyclopenten-1-one, 9CI
    • 5587-79-1

  • Applications

    Pulegenone (CAS number: 5587-79-1) is an organic intermediate typically considered for synthesis routes and may serve as a solvent or processing aid in specialized formulations. Its potential applications include fragrance and cosmetics as an aroma ingredient or fixative, polymer and plastics formulations as a stabilizer or processing aid, coatings and inks as a processing additive, and cleaning formulations as a solvent or odorant carrier; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2247.76
    methanol 2848.54
    isopropanol 2141.31
    water 18.7
    ethyl acetate 2035.12
    n-propanol 2155.23
    acetone 2885.15
    n-butanol 1958.61
    acetonitrile 3808.02
    DMF 2572.96
    toluene 1576.67
    isobutanol 1884.9
    1,4-dioxane 3709.63
    methyl acetate 2143.96
    THF 3993.6
    2-butanone 2310.78
    n-pentanol 1339.22
    sec-butanol 1915.04
    n-hexane 828.45
    ethylene glycol 418.71
    NMP 2501.72
    cyclohexane 850.28
    DMSO 1655.12
    n-butyl acetate 1707.06
    n-octanol 1252.3
    chloroform 7933.57
    n-propyl acetate 1406.73
    acetic acid 1686.41
    dichloromethane 6475.84
    cyclohexanone 3249.73
    propylene glycol 525.5
    isopropyl acetate 1378.13
    DMAc 1549.38
    2-ethoxyethanol 1497.28
    isopentanol 1742.58
    n-heptane 382.95
    ethyl formate 1503.37
    1,2-dichloroethane 3542.55
    n-hexanol 1686.17
    2-methoxyethanol 2066.47
    isobutyl acetate 1022.39
    tetrachloromethane 1956.84
    n-pentyl acetate 1428.18
    transcutol 3122.4
    n-heptanol 1031.11
    ethylbenzene 960.14
    MIBK 1369.72
    2-propoxyethanol 1991.82
    tert-butanol 2098.93
    MTBE 2247.61
    2-butoxyethanol 1411.7
    propionic acid 1583.12
    o-xylene 956.64
    formic acid 563.92
    diethyl ether 2450.6
    m-xylene 1151.15
    p-xylene 1228.3
    chlorobenzene 2220.24
    dimethyl carbonate 758.73
    n-octane 228.98
    formamide 754.62
    cyclopentanone 3417.05
    2-pentanone 2070.96
    anisole 1511.32
    cyclopentyl methyl ether 2352.48
    gamma-butyrolactone 3580.03
    1-methoxy-2-propanol 1570.74
    pyridine 2782.0
    3-pentanone 1535.59
    furfural 2632.71
    n-dodecane 169.23
    diethylene glycol 1079.57
    diisopropyl ether 1021.49
    tert-amyl alcohol 1733.12
    acetylacetone 1711.47
    n-hexadecane 195.79
    acetophenone 1192.74
    methyl propionate 1477.29
    isopentyl acetate 1494.51
    trichloroethylene 6167.35
    n-nonanol 989.01
    cyclohexanol 1924.74
    benzyl alcohol 1042.92
    2-ethylhexanol 1021.97
    isooctanol 855.15
    dipropyl ether 1191.08
    1,2-dichlorobenzene 1989.75
    ethyl lactate 594.36
    propylene carbonate 1974.29
    n-methylformamide 1725.54
    2-pentanol 1586.16
    n-pentane 663.33
    1-propoxy-2-propanol 1353.28
    1-methoxy-2-propyl acetate 1158.5
    2-(2-methoxypropoxy) propanol 790.51
    mesitylene 803.74
    ε-caprolactone 2609.02
    p-cymene 560.33
    epichlorohydrin 3780.29
    1,1,1-trichloroethane 4262.83
    2-aminoethanol 849.21
    morpholine-4-carbaldehyde 2456.45
    sulfolane 3063.01
    2,2,4-trimethylpentane 317.64
    2-methyltetrahydrofuran 3460.2
    n-hexyl acetate 2122.48
    isooctane 295.97
    2-(2-butoxyethoxy)ethanol 1268.75
    sec-butyl acetate 991.21
    tert-butyl acetate 1461.58
    decalin 429.48
    glycerin 628.6
    diglyme 2404.82
    acrylic acid 1367.82
    isopropyl myristate 659.95
    n-butyric acid 2025.15
    acetyl acetate 1151.44
    di(2-ethylhexyl) phthalate 461.08
    ethyl propionate 1195.82
    nitromethane 2782.61
    1,2-diethoxyethane 1685.79
    benzonitrile 1991.28
    trioctyl phosphate 402.79
    1-bromopropane 2642.65
    gamma-valerolactone 3459.06
    n-decanol 667.98
    triethyl phosphate 440.99
    4-methyl-2-pentanol 905.69
    propionitrile 2686.45
    vinylene carbonate 1892.17
    1,1,2-trichlorotrifluoroethane 1872.33
    DMS 1136.64
    cumene 706.18
    2-octanol 920.87
    2-hexanone 1547.83
    octyl acetate 857.19
    limonene 777.85
    1,2-dimethoxyethane 2412.15
    ethyl orthosilicate 464.5
    tributyl phosphate 475.34
    diacetone alcohol 1200.34
    N,N-dimethylaniline 932.63
    acrylonitrile 2993.78
    aniline 1484.87
    1,3-propanediol 1248.5
    bromobenzene 2486.35
    dibromomethane 4526.6
    1,1,2,2-tetrachloroethane 4770.89
    2-methyl-cyclohexyl acetate 785.83
    tetrabutyl urea 588.36
    diisobutyl methanol 565.4
    2-phenylethanol 1068.93
    styrene 1149.04
    dioctyl adipate 680.65
    dimethyl sulfate 1016.14
    ethyl butyrate 1078.21
    methyl lactate 681.42
    butyl lactate 813.71
    diethyl carbonate 677.18
    propanediol butyl ether 1119.82
    triethyl orthoformate 708.91
    p-tert-butyltoluene 556.28
    methyl 4-tert-butylbenzoate 1006.79
    morpholine 3500.12
    tert-butylamine 1697.61
    n-dodecanol 484.72
    dimethoxymethane 1823.5
    ethylene carbonate 1612.27
    cyrene 669.46
    2-ethoxyethyl acetate 1374.4
    2-ethylhexyl acetate 1161.06
    1,2,4-trichlorobenzene 2063.03
    4-methylpyridine 3079.56
    dibutyl ether 1340.03
    2,6-dimethyl-4-heptanol 565.4
    DEF 1803.98
    dimethyl isosorbide 1274.43
    tetrachloroethylene 3325.2
    eugenol 965.18
    triacetin 1045.17
    span 80 809.49
    1,4-butanediol 610.6
    1,1-dichloroethane 4611.46
    2-methyl-1-pentanol 1221.95
    methyl formate 1461.68
    2-methyl-1-butanol 1719.8
    n-decane 302.82
    butyronitrile 2789.41
    3,7-dimethyl-1-octanol 935.13
    1-chlorooctane 1013.53
    1-chlorotetradecane 368.93
    n-nonane 324.39
    undecane 217.38
    tert-butylcyclohexane 438.21
    cyclooctane 370.1
    cyclopentanol 2013.13
    tetrahydropyran 3426.51
    tert-amyl methyl ether 1439.36
    2,5,8-trioxanonane 1213.41
    1-hexene 1689.45
    2-isopropoxyethanol 1131.67
    2,2,2-trifluoroethanol 682.14
    methyl butyrate 1555.56

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction