Ethanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-

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  • Identifiers

    CAS number
    25915-53-1

    Molecular formula
    C11H18O

    SMILES
    CC1C=CCC(C1C(=O)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.63%
    Herbal 69.86%
    Floral 69.2%
    Mint 45.99%
    Camphoreous 44.03%
    Sweet 42.41%
    Spicy 41.59%
    Green 40.45%
    Rose 38.98%
    Tobacco 38.89%

     

    Flavor
    Sweet 65.91%
    Woody 63.24%
    Fruity 54.23%
    Floral 47.34%
    Herbal 43.39%
    Tropical 40.95%
    Minty 35.39%
    Mint 33.7%
    Tobacco 32.97%
    Berry 32.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.49 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point

    • 85.29 ˚C est.

  • Synonyms

    • 25915-53-1
    • 3,5,5-Trimethyl-4-acetylcyclohexene
    • 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)ethan-1-one
    • Ethanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
    • EINECS 247-343-4
    • DTXSID40885318
    • RefChem:592443
    • DTXCID601024704
    • 247-343-4
    • 2,6,6-trimethyl-3-cyclohexenyl methyl ketone
    • 1-(2,6,6-trimethylcyclohex-3-en-1-yl)ethanone
    • SCHEMBL310504
    • 1-(2,6,6-trimethylcyclohex-3-en-1-yl)ethan-1-one
    • 1-acetyl-2,2,6-trimethyl-4-cyclohexene
    • NS00077441
    • 1-(2,6,6-trimethyl-cyclohex-3-enyl)-ethanone
    • 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-1-ethanone
    • 25915-53-1

  • Applications

    Ethanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- (CAS 25915-53-1) is used as a fragrance ingredient and as an intermediate in the synthesis of odorants; in cosmetics and personal care it can contribute to scent notes; in household products and cleaners it serves as a fragrance component to impart aroma; in industrial manufacturing it is evaluated as a fragrance-building block; and in coatings and inks it may be employed as a fragrance additive to affect aroma profiles, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1824.23
    methanol 2183.35
    isopropanol 1444.43
    water 7.35
    ethyl acetate 1713.75
    n-propanol 1846.3
    acetone 1779.19
    n-butanol 1545.89
    acetonitrile 2342.88
    DMF 1453.37
    toluene 1890.21
    isobutanol 1345.24
    1,4-dioxane 3188.1
    methyl acetate 1663.02
    THF 4791.97
    2-butanone 1723.33
    n-pentanol 937.66
    sec-butanol 1370.85
    n-hexane 807.15
    ethylene glycol 271.43
    NMP 1801.65
    cyclohexane 1331.17
    DMSO 948.94
    n-butyl acetate 1138.1
    n-octanol 671.15
    chloroform 3486.71
    n-propyl acetate 778.29
    acetic acid 1045.88
    dichloromethane 2847.11
    cyclohexanone 2771.07
    propylene glycol 341.91
    isopropyl acetate 1002.05
    DMAc 843.69
    2-ethoxyethanol 751.4
    isopentanol 1156.59
    n-heptane 454.21
    ethyl formate 954.12
    1,2-dichloroethane 1921.23
    n-hexanol 1947.03
    2-methoxyethanol 1341.32
    isobutyl acetate 493.79
    tetrachloromethane 955.63
    n-pentyl acetate 664.9
    transcutol 1621.19
    n-heptanol 634.55
    ethylbenzene 685.72
    MIBK 920.1
    2-propoxyethanol 1695.19
    tert-butanol 1448.9
    MTBE 1789.68
    2-butoxyethanol 675.17
    propionic acid 1133.02
    o-xylene 808.49
    formic acid 405.07
    diethyl ether 2516.15
    m-xylene 1197.57
    p-xylene 727.45
    chlorobenzene 1384.68
    dimethyl carbonate 460.09
    n-octane 162.74
    formamide 390.14
    cyclopentanone 2743.72
    2-pentanone 1664.67
    anisole 808.11
    cyclopentyl methyl ether 3012.75
    gamma-butyrolactone 2743.67
    1-methoxy-2-propanol 1156.32
    pyridine 1861.71
    3-pentanone 1274.2
    furfural 1447.53
    n-dodecane 102.28
    diethylene glycol 841.06
    diisopropyl ether 798.95
    tert-amyl alcohol 1203.57
    acetylacetone 1078.32
    n-hexadecane 117.61
    acetophenone 521.11
    methyl propionate 1287.11
    isopentyl acetate 916.82
    trichloroethylene 2714.59
    n-nonanol 508.84
    cyclohexanol 2054.01
    benzyl alcohol 543.77
    2-ethylhexanol 872.55
    isooctanol 461.29
    dipropyl ether 903.28
    1,2-dichlorobenzene 853.76
    ethyl lactate 282.43
    propylene carbonate 1207.42
    n-methylformamide 1045.21
    2-pentanol 1235.83
    n-pentane 834.62
    1-propoxy-2-propanol 1037.0
    1-methoxy-2-propyl acetate 897.28
    2-(2-methoxypropoxy) propanol 437.39
    mesitylene 688.82
    ε-caprolactone 2044.47
    p-cymene 344.28
    epichlorohydrin 2588.77
    1,1,1-trichloroethane 2113.11
    2-aminoethanol 534.24
    morpholine-4-carbaldehyde 1530.34
    sulfolane 2107.38
    2,2,4-trimethylpentane 265.19
    2-methyltetrahydrofuran 3863.09
    n-hexyl acetate 1077.31
    isooctane 237.29
    2-(2-butoxyethoxy)ethanol 670.62
    sec-butyl acetate 555.51
    tert-butyl acetate 998.08
    decalin 374.59
    glycerin 393.8
    diglyme 1101.35
    acrylic acid 782.69
    isopropyl myristate 321.79
    n-butyric acid 1371.17
    acetyl acetate 789.18
    di(2-ethylhexyl) phthalate 237.53
    ethyl propionate 710.68
    nitromethane 1521.29
    1,2-diethoxyethane 859.71
    benzonitrile 918.48
    trioctyl phosphate 207.94
    1-bromopropane 2070.07
    gamma-valerolactone 2447.26
    n-decanol 349.59
    triethyl phosphate 225.26
    4-methyl-2-pentanol 619.1
    propionitrile 1902.14
    vinylene carbonate 1002.73
    1,1,2-trichlorotrifluoroethane 951.07
    DMS 618.66
    cumene 396.58
    2-octanol 483.42
    2-hexanone 902.54
    octyl acetate 408.57
    limonene 605.45
    1,2-dimethoxyethane 1262.31
    ethyl orthosilicate 247.43
    tributyl phosphate 238.55
    diacetone alcohol 814.68
    N,N-dimethylaniline 441.84
    acrylonitrile 1619.09
    aniline 1226.07
    1,3-propanediol 752.95
    bromobenzene 1480.33
    dibromomethane 2377.52
    1,1,2,2-tetrachloroethane 2005.11
    2-methyl-cyclohexyl acetate 473.99
    tetrabutyl urea 283.56
    diisobutyl methanol 374.19
    2-phenylethanol 736.33
    styrene 769.7
    dioctyl adipate 316.06
    dimethyl sulfate 580.05
    ethyl butyrate 630.8
    methyl lactate 410.9
    butyl lactate 361.54
    diethyl carbonate 323.77
    propanediol butyl ether 501.82
    triethyl orthoformate 400.17
    p-tert-butyltoluene 347.14
    methyl 4-tert-butylbenzoate 486.92
    morpholine 3276.28
    tert-butylamine 1191.78
    n-dodecanol 255.38
    dimethoxymethane 1435.11
    ethylene carbonate 956.25
    cyrene 378.28
    2-ethoxyethyl acetate 709.17
    2-ethylhexyl acetate 735.23
    1,2,4-trichlorobenzene 906.81
    4-methylpyridine 2123.74
    dibutyl ether 705.41
    2,6-dimethyl-4-heptanol 374.19
    DEF 1239.83
    dimethyl isosorbide 729.68
    tetrachloroethylene 1462.23
    eugenol 402.25
    triacetin 491.82
    span 80 447.2
    1,4-butanediol 282.63
    1,1-dichloroethane 2417.24
    2-methyl-1-pentanol 713.37
    methyl formate 907.42
    2-methyl-1-butanol 1237.03
    n-decane 188.43
    butyronitrile 1861.34
    3,7-dimethyl-1-octanol 504.31
    1-chlorooctane 586.13
    1-chlorotetradecane 192.69
    n-nonane 219.39
    undecane 134.27
    tert-butylcyclohexane 320.74
    cyclooctane 496.56
    cyclopentanol 1914.4
    tetrahydropyran 4299.0
    tert-amyl methyl ether 1231.77
    2,5,8-trioxanonane 622.2
    1-hexene 1461.23
    2-isopropoxyethanol 550.59
    2,2,2-trifluoroethanol 380.33
    methyl butyrate 842.61

    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