3-Methyl-6-propan-2-ylidene-2-prop-2-enylcyclohexan-1-one

  • Identifiers

    Molecular formula
    C13H20O

    SMILES
    CC1CCC(=C(C)C)C(=O)C1CC=C

  • Odor profile

    Fragrance
    Herbal 78.11%
    Mint 71.65%
    Fruity 52.12%
    Spicy 50.25%
    Woody 47.9%
    Fresh 47.78%
    Green 45.81%
    Camphoreous 42.49%
    Cooling 39.71%
    Sweet 36.12%

     

    Flavor
    Herbal 60.93%
    Minty 52.47%
    Fresh 43.56%
    Spicy 41.73%
    Spice 39.42%
    Mint 38.02%
    Woody 34.88%
    Herb 29.91%
    Peppermint 26.98%
    Floral 26.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.62 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 102.29 ˚C est.

  • Synonyms

    • SCHEMBL3146565
  • Applications

    3-Methyl-6-propan-2-ylidene-2-prop-2-enylcyclohexan-1-one CAS number: is a synthetic intermediate that may find real-world use across several industries, including as a fragrance ingredient and fragrance intermediate in perfumery, as an aroma component in cosmetics/personal care, as a building block for polymers and plastics, and as a functional additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 846.65
    methanol 715.45
    isopropanol 1107.01
    water 0.85
    ethyl acetate 662.16
    n-propanol 929.6
    acetone 894.93
    n-butanol 989.97
    acetonitrile 1071.69
    DMF 999.42
    toluene 771.11
    isobutanol 822.63
    1,4-dioxane 1434.2
    methyl acetate 704.7
    THF 1713.57
    2-butanone 953.89
    n-pentanol 571.88
    sec-butanol 909.45
    n-hexane 182.15
    ethylene glycol 64.11
    NMP 823.24
    cyclohexane 374.37
    DMSO 407.2
    n-butyl acetate 752.0
    n-octanol 381.42
    chloroform 3295.96
    n-propyl acetate 437.09
    acetic acid 456.58
    dichloromethane 2310.0
    cyclohexanone 1591.82
    propylene glycol 127.18
    isopropyl acetate 436.24
    DMAc 588.79
    2-ethoxyethanol 390.44
    isopentanol 818.61
    n-heptane 106.31
    ethyl formate 541.25
    1,2-dichloroethane 1277.48
    n-hexanol 855.76
    2-methoxyethanol 647.9
    isobutyl acetate 303.31
    tetrachloromethane 513.0
    n-pentyl acetate 453.15
    transcutol 1099.61
    n-heptanol 379.66
    ethylbenzene 389.27
    MIBK 457.14
    2-propoxyethanol 711.85
    tert-butanol 953.33
    MTBE 829.41
    2-butoxyethanol 424.11
    propionic acid 462.25
    o-xylene 411.81
    formic acid 95.52
    diethyl ether 866.32
    m-xylene 497.93
    p-xylene 489.56
    chlorobenzene 954.69
    dimethyl carbonate 170.82
    n-octane 55.65
    formamide 167.37
    cyclopentanone 1339.83
    2-pentanone 752.78
    anisole 507.79
    cyclopentyl methyl ether 746.98
    gamma-butyrolactone 1222.0
    1-methoxy-2-propanol 551.72
    pyridine 1496.38
    3-pentanone 520.22
    furfural 893.54
    n-dodecane 41.0
    diethylene glycol 342.35
    diisopropyl ether 268.98
    tert-amyl alcohol 745.34
    acetylacetone 522.65
    n-hexadecane 48.84
    acetophenone 428.57
    methyl propionate 424.44
    isopentyl acetate 689.52
    trichloroethylene 2472.85
    n-nonanol 312.94
    cyclohexanol 982.04
    benzyl alcohol 446.59
    2-ethylhexanol 438.31
    isooctanol 306.89
    dipropyl ether 368.27
    1,2-dichlorobenzene 670.98
    ethyl lactate 176.64
    propylene carbonate 706.72
    n-methylformamide 464.84
    2-pentanol 688.75
    n-pentane 184.66
    1-propoxy-2-propanol 535.64
    1-methoxy-2-propyl acetate 462.65
    2-(2-methoxypropoxy) propanol 318.49
    mesitylene 314.93
    ε-caprolactone 1083.13
    p-cymene 243.19
    epichlorohydrin 1370.89
    1,1,1-trichloroethane 1466.12
    2-aminoethanol 209.89
    morpholine-4-carbaldehyde 765.1
    sulfolane 826.41
    2,2,4-trimethylpentane 82.95
    2-methyltetrahydrofuran 1333.11
    n-hexyl acetate 614.93
    isooctane 77.07
    2-(2-butoxyethoxy)ethanol 456.69
    sec-butyl acetate 298.16
    tert-butyl acetate 437.94
    decalin 135.54
    glycerin 142.34
    diglyme 729.68
    acrylic acid 351.05
    isopropyl myristate 224.78
    n-butyric acid 823.35
    acetyl acetate 340.63
    di(2-ethylhexyl) phthalate 196.64
    ethyl propionate 325.76
    nitromethane 684.77
    1,2-diethoxyethane 550.29
    benzonitrile 801.78
    trioctyl phosphate 153.2
    1-bromopropane 1077.83
    gamma-valerolactone 1290.63
    n-decanol 216.17
    triethyl phosphate 168.98
    4-methyl-2-pentanol 354.5
    propionitrile 1054.37
    vinylene carbonate 690.18
    1,1,2-trichlorotrifluoroethane 620.5
    DMS 333.13
    cumene 258.24
    2-octanol 305.92
    2-hexanone 533.86
    octyl acetate 278.6
    limonene 333.64
    1,2-dimethoxyethane 776.45
    ethyl orthosilicate 174.16
    tributyl phosphate 177.51
    diacetone alcohol 426.75
    N,N-dimethylaniline 311.84
    acrylonitrile 935.35
    aniline 731.29
    1,3-propanediol 418.97
    bromobenzene 1016.42
    dibromomethane 1750.37
    1,1,2,2-tetrachloroethane 1754.03
    2-methyl-cyclohexyl acetate 323.6
    tetrabutyl urea 225.35
    diisobutyl methanol 239.38
    2-phenylethanol 513.83
    styrene 466.8
    dioctyl adipate 255.34
    dimethyl sulfate 225.12
    ethyl butyrate 394.48
    methyl lactate 188.6
    butyl lactate 300.29
    diethyl carbonate 263.22
    propanediol butyl ether 368.68
    triethyl orthoformate 271.13
    p-tert-butyltoluene 228.35
    methyl 4-tert-butylbenzoate 355.74
    morpholine 1547.08
    tert-butylamine 692.17
    n-dodecanol 159.59
    dimethoxymethane 521.94
    ethylene carbonate 607.41
    cyrene 299.31
    2-ethoxyethyl acetate 439.37
    2-ethylhexyl acetate 515.49
    1,2,4-trichlorobenzene 748.34
    4-methylpyridine 1511.74
    dibutyl ether 400.21
    2,6-dimethyl-4-heptanol 239.38
    DEF 612.65
    dimethyl isosorbide 556.08
    tetrachloroethylene 1130.23
    eugenol 336.95
    triacetin 348.83
    span 80 326.29
    1,4-butanediol 166.03
    1,1-dichloroethane 1739.5
    2-methyl-1-pentanol 537.11
    methyl formate 373.47
    2-methyl-1-butanol 808.09
    n-decane 75.4
    butyronitrile 1266.93
    3,7-dimethyl-1-octanol 325.68
    1-chlorooctane 296.84
    1-chlorotetradecane 107.31
    n-nonane 76.52
    undecane 53.74
    tert-butylcyclohexane 119.09
    cyclooctane 106.69
    cyclopentanol 866.92
    tetrahydropyran 1866.61
    tert-amyl methyl ether 509.35
    2,5,8-trioxanonane 456.76
    1-hexene 520.51
    2-isopropoxyethanol 301.62
    2,2,2-trifluoroethanol 158.01
    methyl butyrate 507.75

    Scent© AI

1 of 4
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