3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-

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  • Identifiers

    CAS number
    7388-22-9

    Molecular formula
    C14H22O

    SMILES
    CC(=CC1C(=C)CCCC1(C)C)C(=O)C

  • Odor profile

    Fragrance
    Woody 88.8%
    Floral 71.94%
    Violet 64.54%
    Orris 61.18%
    Powdery 53.19%
    Amber 47.49%
    Dry 46.65%
    Sweet 44.03%
    Tobacco 41.96%
    Musk 39.69%

     

    Flavor
    Woody 66.75%
    Floral 54.25%
    Orris 36.19%
    Herbal 33.7%
    Violet 32.34%
    Wood 31.52%
    Powdery 30.96%
    Sweet 30.73%
    Minty 29.49%
    Spicy 27.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.51 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 107.0 ˚C est.

  • Synonyms

    • 7388-22-9
    • 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-
    • 4-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylbut-3-en-2-one
    • DTXSID30864051
    • 3-Methyl-4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one
    • DTXCID40812604
    • YQUFLLFXOARBNW-UHFFFAOYSA-N
    • DB-282880
    • NS00047680
    • 4-(2-methylene-6,6-dimethylcyclohex-1-yl)-3-methylbut-3-en-2-one
    • 230-969-7

  • Applications

    3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl- (CAS 7388-22-9) is primarily used as an industrial chemical intermediate; in perfumery, it can function as an odorant or fragrance ingredient and as a fixative due to its bulky cyclohexylidene moiety; in cosmetics/personal care, it may be formulated as a fragrance component; in polymers and coatings, it can serve as a reactive intermediate or monomer precursor for specialty polymers and resin systems, depending on processing conditions and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1106.37
    methanol 670.46
    isopropanol 1415.45
    water 0.54
    ethyl acetate 1464.58
    n-propanol 1150.51
    acetone 1358.63
    n-butanol 1109.95
    acetonitrile 1114.13
    DMF 1725.52
    toluene 1158.94
    isobutanol 965.04
    1,4-dioxane 2180.58
    methyl acetate 1279.36
    THF 3404.18
    2-butanone 1606.38
    n-pentanol 588.99
    sec-butanol 1109.87
    n-hexane 136.27
    ethylene glycol 93.46
    NMP 1131.89
    cyclohexane 268.13
    DMSO 722.82
    n-butyl acetate 1240.4
    n-octanol 435.97
    chloroform 3321.64
    n-propyl acetate 707.66
    acetic acid 445.45
    dichloromethane 2643.58
    cyclohexanone 1764.98
    propylene glycol 292.7
    isopropyl acetate 994.35
    DMAc 1216.26
    2-ethoxyethanol 535.42
    isopentanol 1030.65
    n-heptane 116.91
    ethyl formate 723.76
    1,2-dichloroethane 1426.37
    n-hexanol 1125.87
    2-methoxyethanol 1118.89
    isobutyl acetate 504.1
    tetrachloromethane 503.38
    n-pentyl acetate 577.47
    transcutol 2453.7
    n-heptanol 421.28
    ethylbenzene 570.89
    MIBK 798.63
    2-propoxyethanol 1195.38
    tert-butanol 1772.47
    MTBE 1667.27
    2-butoxyethanol 592.67
    propionic acid 554.5
    o-xylene 609.62
    formic acid 101.53
    diethyl ether 1242.35
    m-xylene 830.55
    p-xylene 712.43
    chlorobenzene 1113.87
    dimethyl carbonate 412.17
    n-octane 47.5
    formamide 238.59
    cyclopentanone 2060.3
    2-pentanone 1251.62
    anisole 891.05
    cyclopentyl methyl ether 1354.63
    gamma-butyrolactone 1831.11
    1-methoxy-2-propanol 1256.16
    pyridine 1542.74
    3-pentanone 869.38
    furfural 1268.1
    n-dodecane 37.17
    diethylene glycol 567.39
    diisopropyl ether 448.93
    tert-amyl alcohol 1130.43
    acetylacetone 1094.41
    n-hexadecane 44.32
    acetophenone 655.63
    methyl propionate 962.09
    isopentyl acetate 1066.34
    trichloroethylene 2654.1
    n-nonanol 369.0
    cyclohexanol 963.86
    benzyl alcohol 586.75
    2-ethylhexanol 603.25
    isooctanol 345.71
    dipropyl ether 691.56
    1,2-dichlorobenzene 869.23
    ethyl lactate 302.85
    propylene carbonate 1111.06
    n-methylformamide 616.49
    2-pentanol 871.04
    n-pentane 154.98
    1-propoxy-2-propanol 1059.75
    1-methoxy-2-propyl acetate 1063.0
    2-(2-methoxypropoxy) propanol 623.88
    mesitylene 472.52
    ε-caprolactone 1431.72
    p-cymene 351.54
    epichlorohydrin 2197.1
    1,1,1-trichloroethane 1727.99
    2-aminoethanol 332.93
    morpholine-4-carbaldehyde 1374.75
    sulfolane 1300.26
    2,2,4-trimethylpentane 92.91
    2-methyltetrahydrofuran 2350.63
    n-hexyl acetate 876.44
    isooctane 95.54
    2-(2-butoxyethoxy)ethanol 864.84
    sec-butyl acetate 551.85
    tert-butyl acetate 1023.5
    decalin 132.41
    glycerin 281.63
    diglyme 1350.89
    acrylic acid 361.2
    isopropyl myristate 365.16
    n-butyric acid 1064.62
    acetyl acetate 688.97
    di(2-ethylhexyl) phthalate 317.07
    ethyl propionate 639.0
    nitromethane 914.35
    1,2-diethoxyethane 1069.82
    benzonitrile 898.77
    trioctyl phosphate 233.0
    1-bromopropane 1145.19
    gamma-valerolactone 2104.42
    n-decanol 273.14
    triethyl phosphate 268.94
    4-methyl-2-pentanol 531.1
    propionitrile 1137.34
    vinylene carbonate 960.05
    1,1,2-trichlorotrifluoroethane 908.54
    DMS 602.98
    cumene 358.46
    2-octanol 319.82
    2-hexanone 730.82
    octyl acetate 447.59
    limonene 496.95
    1,2-dimethoxyethane 1129.7
    ethyl orthosilicate 270.97
    tributyl phosphate 282.11
    diacetone alcohol 941.76
    N,N-dimethylaniline 571.13
    acrylonitrile 998.55
    aniline 987.68
    1,3-propanediol 583.82
    bromobenzene 1246.72
    dibromomethane 1865.2
    1,1,2,2-tetrachloroethane 1949.23
    2-methyl-cyclohexyl acetate 578.43
    tetrabutyl urea 335.48
    diisobutyl methanol 361.56
    2-phenylethanol 729.44
    styrene 643.73
    dioctyl adipate 456.66
    dimethyl sulfate 461.68
    ethyl butyrate 741.35
    methyl lactate 403.34
    butyl lactate 449.71
    diethyl carbonate 457.28
    propanediol butyl ether 649.71
    triethyl orthoformate 455.7
    p-tert-butyltoluene 383.69
    methyl 4-tert-butylbenzoate 619.09
    morpholine 2482.06
    tert-butylamine 1250.87
    n-dodecanol 207.44
    dimethoxymethane 1107.0
    ethylene carbonate 808.28
    cyrene 497.36
    2-ethoxyethyl acetate 751.21
    2-ethylhexyl acetate 785.92
    1,2,4-trichlorobenzene 993.82
    4-methylpyridine 1877.55
    dibutyl ether 586.88
    2,6-dimethyl-4-heptanol 361.56
    DEF 1025.74
    dimethyl isosorbide 1124.38
    tetrachloroethylene 1058.85
    eugenol 539.3
    triacetin 671.82
    span 80 602.36
    1,4-butanediol 181.33
    1,1-dichloroethane 2019.52
    2-methyl-1-pentanol 573.23
    methyl formate 491.29
    2-methyl-1-butanol 880.22
    n-decane 67.46
    butyronitrile 1258.86
    3,7-dimethyl-1-octanol 496.18
    1-chlorooctane 318.86
    1-chlorotetradecane 124.77
    n-nonane 64.99
    undecane 47.87
    tert-butylcyclohexane 136.96
    cyclooctane 92.08
    cyclopentanol 965.16
    tetrahydropyran 2495.75
    tert-amyl methyl ether 899.29
    2,5,8-trioxanonane 890.37
    1-hexene 530.85
    2-isopropoxyethanol 471.56
    2,2,2-trifluoroethanol 158.72
    methyl butyrate 804.94

    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