4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One

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  • Identifiers

    CAS number
    13720-12-2

    Molecular formula
    C13H22O

    SMILES
    CC(=O)CCC1C(=C)CCCC1(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 86.35%
    Floral 71.82%
    Orris 58.64%
    Violet 54.38%
    Dry 47.01%
    Amber 46.83%
    Tobacco 45.18%
    Powdery 43.14%
    Fruity 42.49%
    Musk 40.84%

     

    Flavor
    Woody 64.98%
    Floral 47.9%
    Fruity 43.22%
    Orris 33.51%
    Herbal 29.8%
    Wood 29.17%
    Earthy 28.82%
    Dry 28.4%
    Sweet 28.39%
    Green 26.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.97 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 103.62 ˚C est.

  • Synonyms

    • 4-(2,2-Dimethyl-6-methylenecyclohexyl)butan-2-one
    • 13720-12-2
    • EINECS 237-283-7
    • Dihydro-gamma-ionone
    • 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)-
    • 4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-one
    • DTXSID1051694
    • SCHEMBL2855105
    • DTXCID0030249
    • NS00012311
    • 4-(2,2-Dimethyl-6-methylenecyclohexyl)-2-butanone #
    • 237-283-7

  • Applications

    4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One (CAS 13720-12-2) is typically used as an aroma chemical and fragrance intermediate. In perfumery, it contributes to woody or musky notes and is incorporated into fragrance concentrates. In cosmetics and personal care, it serves as a fragrance ingredient in creams, lotions, and cleansers. In household products, it can be formulated into air fresheners and cleaners to impart a lasting scent. It may be evaluated for flavor applications in the broader aroma/flavor field, though regulatory limits and formulation constraints apply. In industrial manufacturing, it can function as an odorant additive or intermediate in the synthesis of fragrance materials and specialty polymers, and may appear in coatings or inks as a fragrance component under local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3936.88
    methanol 4254.08
    isopropanol 3087.06
    water 1.78
    ethyl acetate 2922.25
    n-propanol 2824.43
    acetone 3046.41
    n-butanol 2528.5
    acetonitrile 2772.13
    DMF 2728.68
    toluene 1334.25
    isobutanol 1740.79
    1,4-dioxane 5261.49
    methyl acetate 1940.06
    THF 6929.56
    2-butanone 2131.88
    n-pentanol 1066.45
    sec-butanol 1637.86
    n-hexane 143.04
    ethylene glycol 276.0
    NMP 1591.83
    cyclohexane 405.72
    DMSO 1437.55
    n-butyl acetate 2082.95
    n-octanol 513.81
    chloroform 4910.67
    n-propyl acetate 1156.17
    acetic acid 1599.86
    dichloromethane 4255.94
    cyclohexanone 2701.35
    propylene glycol 553.88
    isopropyl acetate 1789.24
    DMAc 1362.62
    2-ethoxyethanol 1220.04
    isopentanol 1809.95
    n-heptane 147.81
    ethyl formate 1705.0
    1,2-dichloroethane 2233.43
    n-hexanol 2013.16
    2-methoxyethanol 3211.99
    isobutyl acetate 713.75
    tetrachloromethane 631.65
    n-pentyl acetate 852.63
    transcutol 5806.27
    n-heptanol 551.18
    ethylbenzene 453.43
    MIBK 1143.58
    2-propoxyethanol 2804.08
    tert-butanol 2668.71
    MTBE 2307.92
    2-butoxyethanol 997.05
    propionic acid 1242.1
    o-xylene 520.06
    formic acid 555.29
    diethyl ether 3006.32
    m-xylene 778.71
    p-xylene 522.29
    chlorobenzene 1522.04
    dimethyl carbonate 578.99
    n-octane 40.74
    formamide 886.8
    cyclopentanone 2875.48
    2-pentanone 2125.35
    anisole 1050.85
    cyclopentyl methyl ether 2524.1
    gamma-butyrolactone 3359.65
    1-methoxy-2-propanol 2500.67
    pyridine 2660.69
    3-pentanone 1150.9
    furfural 2300.61
    n-dodecane 27.67
    diethylene glycol 1296.75
    diisopropyl ether 724.95
    tert-amyl alcohol 1390.99
    acetylacetone 1939.06
    n-hexadecane 32.96
    acetophenone 687.17
    methyl propionate 1654.95
    isopentyl acetate 1736.96
    trichloroethylene 3939.14
    n-nonanol 418.99
    cyclohexanol 1735.05
    benzyl alcohol 702.01
    2-ethylhexanol 820.73
    isooctanol 390.6
    dipropyl ether 1287.34
    1,2-dichlorobenzene 1083.38
    ethyl lactate 372.75
    propylene carbonate 1780.21
    n-methylformamide 1704.06
    2-pentanol 1356.35
    n-pentane 193.58
    1-propoxy-2-propanol 1946.17
    1-methoxy-2-propyl acetate 2038.16
    2-(2-methoxypropoxy) propanol 864.77
    mesitylene 435.16
    ε-caprolactone 2362.3
    p-cymene 330.88
    epichlorohydrin 3688.56
    1,1,1-trichloroethane 2106.94
    2-aminoethanol 936.41
    morpholine-4-carbaldehyde 2502.7
    sulfolane 1848.91
    2,2,4-trimethylpentane 79.91
    2-methyltetrahydrofuran 4297.88
    n-hexyl acetate 1225.83
    isooctane 88.5
    2-(2-butoxyethoxy)ethanol 1387.41
    sec-butyl acetate 766.66
    tert-butyl acetate 1575.65
    decalin 117.1
    glycerin 562.03
    diglyme 2532.79
    acrylic acid 777.41
    isopropyl myristate 368.46
    n-butyric acid 2512.55
    acetyl acetate 1430.39
    di(2-ethylhexyl) phthalate 352.46
    ethyl propionate 929.7
    nitromethane 2529.03
    1,2-diethoxyethane 2253.89
    benzonitrile 1304.95
    trioctyl phosphate 244.73
    1-bromopropane 1549.44
    gamma-valerolactone 3840.07
    n-decanol 272.29
    triethyl phosphate 342.15
    4-methyl-2-pentanol 699.32
    propionitrile 2099.64
    vinylene carbonate 1618.61
    1,1,2-trichlorotrifluoroethane 1565.24
    DMS 798.6
    cumene 279.11
    2-octanol 335.93
    2-hexanone 1024.2
    octyl acetate 466.63
    limonene 555.86
    1,2-dimethoxyethane 2374.87
    ethyl orthosilicate 360.84
    tributyl phosphate 357.02
    diacetone alcohol 1355.87
    N,N-dimethylaniline 534.46
    acrylonitrile 1835.83
    aniline 1572.33
    1,3-propanediol 1670.12
    bromobenzene 1575.93
    dibromomethane 2633.47
    1,1,2,2-tetrachloroethane 2681.05
    2-methyl-cyclohexyl acetate 708.86
    tetrabutyl urea 385.55
    diisobutyl methanol 451.02
    2-phenylethanol 1022.88
    styrene 597.57
    dioctyl adipate 518.08
    dimethyl sulfate 534.94
    ethyl butyrate 1146.16
    methyl lactate 571.24
    butyl lactate 589.87
    diethyl carbonate 685.51
    propanediol butyl ether 851.87
    triethyl orthoformate 737.78
    p-tert-butyltoluene 349.53
    methyl 4-tert-butylbenzoate 649.32
    morpholine 6231.42
    tert-butylamine 1826.49
    n-dodecanol 185.65
    dimethoxymethane 2436.99
    ethylene carbonate 1530.04
    cyrene 551.1
    2-ethoxyethyl acetate 1232.98
    2-ethylhexyl acetate 1255.46
    1,2,4-trichlorobenzene 1204.93
    4-methylpyridine 2905.05
    dibutyl ether 827.43
    2,6-dimethyl-4-heptanol 451.02
    DEF 1723.64
    dimethyl isosorbide 1591.05
    tetrachloroethylene 1604.61
    eugenol 577.13
    triacetin 841.89
    span 80 746.82
    1,4-butanediol 344.73
    1,1-dichloroethane 2596.97
    2-methyl-1-pentanol 800.03
    methyl formate 1229.32
    2-methyl-1-butanol 1390.46
    n-decane 58.51
    butyronitrile 2622.82
    3,7-dimethyl-1-octanol 554.15
    1-chlorooctane 310.93
    1-chlorotetradecane 100.22
    n-nonane 57.59
    undecane 38.58
    tert-butylcyclohexane 111.37
    cyclooctane 109.69
    cyclopentanol 1580.74
    tetrahydropyran 5356.25
    tert-amyl methyl ether 1110.92
    2,5,8-trioxanonane 1503.94
    1-hexene 585.68
    2-isopropoxyethanol 764.49
    2,2,2-trifluoroethanol 390.8
    methyl butyrate 1208.67

    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