1-Pentanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

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  • Identifiers

    CAS number
    76649-24-6

    Molecular formula
    C14H24O

    SMILES
    CCCCC(=O)C1=C(CCCC1(C)C)C

  • Odor profile

    Fragrance
    Woody 65.13%
    Fruity 62.7%
    Floral 60.75%
    Sweet 56.86%
    Tobacco 50.07%
    Rose 42.25%
    Berry 40.16%
    Dry 39.52%
    Orris 36.49%
    Herbal 35.9%

     

    Flavor
    Woody 55.27%
    Herbal 49.04%
    Spicy 34.02%
    Floral 33.55%
    Fruity 33.44%
    Minty 32.25%
    Orris 27.0%
    Dry 26.59%
    Tobacco 25.87%
    Camphor 25.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.31 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 115.04 ˚C est.

  • Synonyms

    • Pseudo-damascone
    • 76649-24-6
    • 1-Pentanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • EINECS 278-517-8
    • DTXSID1072842
    • (2,6,6-Trimethyl-2-cyclohexenyl)-1-pentanone
    • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-pentanone
    • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pentan-1-one
    • 4X6Y5K9L6U
    • DTXCID9047910
    • HEMHFUODSZBALC-UHFFFAOYSA-N
    • NS00037824

  • Applications

    1-Pentanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 76649-24-6) is typically encountered as a fragrance-related chemical, serving as an odorant and fixative in perfumery to extend scent lifetimes. It is commonly evaluated for cosmetics and personal care formulations, contributing as a fragrance ingredient in perfumes, lotions, and haircare products. In household products, it may be used as a fragrance additive in air fresheners and scented cleaners. In industrial manufacturing, it can act as a solvent or processing aid for fragrance compounds and as an intermediate in the synthesis of specialty chemicals. In coatings and inks, it may be employed to impart scent or as a component of a fragrance-containing solvent system. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5952.55
    methanol 6406.21
    isopropanol 6081.23
    water 1.58
    ethyl acetate 4175.41
    n-propanol 5998.53
    acetone 5700.35
    n-butanol 6228.87
    acetonitrile 5831.71
    DMF 5071.65
    toluene 4191.32
    isobutanol 5414.73
    1,4-dioxane 8421.48
    methyl acetate 3254.22
    THF 11717.82
    2-butanone 4417.07
    n-pentanol 3106.08
    sec-butanol 4534.84
    n-hexane 2081.38
    ethylene glycol 372.93
    NMP 3637.42
    cyclohexane 4509.39
    DMSO 1824.97
    n-butyl acetate 4201.34
    n-octanol 1645.65
    chloroform 11468.98
    n-propyl acetate 2000.98
    acetic acid 2831.06
    dichloromethane 8057.44
    cyclohexanone 8581.8
    propylene glycol 673.69
    isopropyl acetate 3049.53
    DMAc 2382.49
    2-ethoxyethanol 1863.97
    isopentanol 5143.1
    n-heptane 991.54
    ethyl formate 2624.3
    1,2-dichloroethane 6036.64
    n-hexanol 5703.83
    2-methoxyethanol 4044.32
    isobutyl acetate 1452.04
    tetrachloromethane 2242.61
    n-pentyl acetate 2120.12
    transcutol 4486.09
    n-heptanol 1705.48
    ethylbenzene 1650.0
    MIBK 2741.76
    2-propoxyethanol 4465.91
    tert-butanol 5179.24
    MTBE 5817.29
    2-butoxyethanol 1846.72
    propionic acid 2394.26
    o-xylene 1756.46
    formic acid 659.55
    diethyl ether 7999.54
    m-xylene 2401.93
    p-xylene 1903.89
    chlorobenzene 4209.89
    dimethyl carbonate 969.39
    n-octane 371.89
    formamide 889.18
    cyclopentanone 6295.89
    2-pentanone 4751.42
    anisole 1904.73
    cyclopentyl methyl ether 6191.3
    gamma-butyrolactone 5486.18
    1-methoxy-2-propanol 3059.34
    pyridine 6541.65
    3-pentanone 3212.37
    furfural 3425.02
    n-dodecane 190.33
    diethylene glycol 1559.24
    diisopropyl ether 2335.55
    tert-amyl alcohol 3689.68
    acetylacetone 2703.75
    n-hexadecane 231.58
    acetophenone 1354.77
    methyl propionate 2719.72
    isopentyl acetate 3820.67
    trichloroethylene 8581.45
    n-nonanol 1299.0
    cyclohexanol 6426.27
    benzyl alcohol 1556.78
    2-ethylhexanol 2617.71
    isooctanol 1382.15
    dipropyl ether 2864.32
    1,2-dichlorobenzene 2572.22
    ethyl lactate 573.66
    propylene carbonate 2951.9
    n-methylformamide 2871.15
    2-pentanol 4372.01
    n-pentane 2163.18
    1-propoxy-2-propanol 2904.74
    1-methoxy-2-propyl acetate 2365.2
    2-(2-methoxypropoxy) propanol 980.99
    mesitylene 1443.05
    ε-caprolactone 5506.91
    p-cymene 817.23
    epichlorohydrin 6447.82
    1,1,1-trichloroethane 5958.17
    2-aminoethanol 1200.79
    morpholine-4-carbaldehyde 3637.58
    sulfolane 3459.76
    2,2,4-trimethylpentane 561.99
    2-methyltetrahydrofuran 8441.42
    n-hexyl acetate 3001.63
    isooctane 525.22
    2-(2-butoxyethoxy)ethanol 1646.65
    sec-butyl acetate 1491.56
    tert-butyl acetate 2701.86
    decalin 901.46
    glycerin 681.3
    diglyme 3030.59
    acrylic acid 1684.35
    isopropyl myristate 835.56
    n-butyric acid 4790.06
    acetyl acetate 1883.65
    di(2-ethylhexyl) phthalate 577.32
    ethyl propionate 1747.46
    nitromethane 3414.46
    1,2-diethoxyethane 3073.62
    benzonitrile 2913.91
    trioctyl phosphate 495.96
    1-bromopropane 5772.36
    gamma-valerolactone 6475.15
    n-decanol 839.01
    triethyl phosphate 554.52
    4-methyl-2-pentanol 2013.39
    propionitrile 6001.89
    vinylene carbonate 2581.76
    1,1,2-trichlorotrifluoroethane 2495.65
    DMS 1379.3
    cumene 926.83
    2-octanol 1337.61
    2-hexanone 2548.39
    octyl acetate 1064.73
    limonene 1500.23
    1,2-dimethoxyethane 4423.7
    ethyl orthosilicate 644.91
    tributyl phosphate 641.33
    diacetone alcohol 2027.04
    N,N-dimethylaniline 1051.11
    acrylonitrile 4586.85
    aniline 3294.91
    1,3-propanediol 2336.26
    bromobenzene 4265.41
    dibromomethane 6434.71
    1,1,2,2-tetrachloroethane 7015.18
    2-methyl-cyclohexyl acetate 1284.79
    tetrabutyl urea 793.85
    diisobutyl methanol 1085.8
    2-phenylethanol 2051.95
    styrene 1973.17
    dioctyl adipate 802.05
    dimethyl sulfate 954.88
    ethyl butyrate 1909.11
    methyl lactate 785.87
    butyl lactate 1144.9
    diethyl carbonate 982.55
    propanediol butyl ether 1258.41
    triethyl orthoformate 1236.58
    p-tert-butyltoluene 785.17
    methyl 4-tert-butylbenzoate 1074.15
    morpholine 9835.58
    tert-butylamine 4334.51
    n-dodecanol 573.23
    dimethoxymethane 3890.18
    ethylene carbonate 2667.62
    cyrene 739.64
    2-ethoxyethyl acetate 1905.84
    2-ethylhexyl acetate 2878.01
    1,2,4-trichlorobenzene 2468.79
    4-methylpyridine 6551.34
    dibutyl ether 2486.51
    2,6-dimethyl-4-heptanol 1085.8
    DEF 4004.96
    dimethyl isosorbide 1740.81
    tetrachloroethylene 4895.63
    eugenol 958.36
    triacetin 1108.55
    span 80 1029.69
    1,4-butanediol 748.79
    1,1-dichloroethane 7375.0
    2-methyl-1-pentanol 2588.62
    methyl formate 2127.38
    2-methyl-1-butanol 4780.5
    n-decane 425.0
    butyronitrile 7689.02
    3,7-dimethyl-1-octanol 1402.85
    1-chlorooctane 1378.65
    1-chlorotetradecane 408.98
    n-nonane 497.56
    undecane 268.72
    tert-butylcyclohexane 701.77
    cyclooctane 1137.7
    cyclopentanol 4943.78
    tetrahydropyran 13829.3
    tert-amyl methyl ether 3452.41
    2,5,8-trioxanonane 1468.43
    1-hexene 4272.37
    2-isopropoxyethanol 1387.27
    2,2,2-trifluoroethanol 746.41
    methyl butyrate 2510.85

    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