(1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone

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  • Identifiers

    CAS number
    52612-52-9

    Molecular formula
    C11H20O

    SMILES
    C[C@H]1CCCC([C@H]1C(=O)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.02%
    Herbal 62.14%
    Floral 61.47%
    Camphoreous 53.25%
    Mint 48.05%
    Tobacco 45.21%
    Sweet 44.15%
    Fruity 43.19%
    Earthy 39.58%
    Orris 38.84%

     

    Flavor
    Woody 66.62%
    Sweet 63.2%
    Herbal 45.64%
    Fruity 42.27%
    Camphor 39.17%
    Dry 34.92%
    Tobacco 32.13%
    Tropical 31.26%
    Minty 30.4%
    Floral 30.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.96 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 81.23 ˚C est.

  • Synonyms

    • 52612-52-9
    • (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone
    • EINECS 258-046-4
    • 1-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethan-1-one
    • SCHEMBL4608224
    • DTXSID20967045
    • cis-1-acetyl-2,2,6-trimethylcyclohexane
    • 1-(2,2,6-Trimethylcyclohexyl)ethan-1-one
    • DB-321932
    • NS00123126
    • 52612-52-9

  • Applications

    (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone (CAS 52612-52-9) is primarily used as an odorant in perfumery and cosmetics, where its bulky alicyclic ketone framework can contribute woody and amber-like notes and it is commonly evaluated as a fragrance ingredient and may function as a fixative or blending component in formulations. It can also serve as an intermediate in fragrance synthesis and is occasionally incorporated into household cleaning products and scented coatings or inks to impart lasting scent; in specialty applications, it may be used in certain polymers/plastics and adhesives to provide fragrance attributes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4588.21
    methanol 5729.52
    isopropanol 3778.14
    water 8.8
    ethyl acetate 3516.02
    n-propanol 4526.86
    acetone 4117.72
    n-butanol 3607.08
    acetonitrile 5766.56
    DMF 2780.33
    toluene 3189.92
    isobutanol 3197.24
    1,4-dioxane 6629.88
    methyl acetate 3562.31
    THF 9722.95
    2-butanone 3736.99
    n-pentanol 1855.55
    sec-butanol 3000.61
    n-hexane 1252.82
    ethylene glycol 534.56
    NMP 2845.31
    cyclohexane 2320.08
    DMSO 1830.88
    n-butyl acetate 2613.29
    n-octanol 1205.97
    chloroform 7696.7
    n-propyl acetate 1547.3
    acetic acid 2395.61
    dichloromethane 5890.56
    cyclohexanone 6053.11
    propylene glycol 699.55
    isopropyl acetate 2080.77
    DMAc 1410.72
    2-ethoxyethanol 1448.57
    isopentanol 2539.12
    n-heptane 751.29
    ethyl formate 2119.53
    1,2-dichloroethane 4002.32
    n-hexanol 3804.49
    2-methoxyethanol 2963.19
    isobutyl acetate 977.82
    tetrachloromethane 1893.02
    n-pentyl acetate 1346.02
    transcutol 2992.1
    n-heptanol 1187.75
    ethylbenzene 1117.53
    MIBK 1746.52
    2-propoxyethanol 3383.19
    tert-butanol 3261.61
    MTBE 3960.62
    2-butoxyethanol 1235.34
    propionic acid 2413.96
    o-xylene 1340.77
    formic acid 876.86
    diethyl ether 5299.98
    m-xylene 1901.16
    p-xylene 1313.85
    chlorobenzene 2918.33
    dimethyl carbonate 747.77
    n-octane 258.1
    formamide 832.45
    cyclopentanone 5417.26
    2-pentanone 3317.41
    anisole 1388.87
    cyclopentyl methyl ether 5511.12
    gamma-butyrolactone 5217.91
    1-methoxy-2-propanol 2230.44
    pyridine 4150.63
    3-pentanone 2363.4
    furfural 2903.39
    n-dodecane 149.14
    diethylene glycol 1556.47
    diisopropyl ether 1554.58
    tert-amyl alcohol 2378.77
    acetylacetone 2087.55
    n-hexadecane 174.53
    acetophenone 895.44
    methyl propionate 2430.15
    isopentyl acetate 2042.73
    trichloroethylene 5730.4
    n-nonanol 883.54
    cyclohexanol 4073.74
    benzyl alcohol 1001.3
    2-ethylhexanol 1690.96
    isooctanol 842.47
    dipropyl ether 1836.72
    1,2-dichlorobenzene 1679.15
    ethyl lactate 454.28
    propylene carbonate 2409.1
    n-methylformamide 2439.73
    2-pentanol 2467.34
    n-pentane 1369.12
    1-propoxy-2-propanol 2010.0
    1-methoxy-2-propyl acetate 1772.26
    2-(2-methoxypropoxy) propanol 701.79
    mesitylene 1112.02
    ε-caprolactone 4314.24
    p-cymene 591.52
    epichlorohydrin 5413.81
    1,1,1-trichloroethane 4412.2
    2-aminoethanol 1200.12
    morpholine-4-carbaldehyde 2728.48
    sulfolane 3831.48
    2,2,4-trimethylpentane 407.87
    2-methyltetrahydrofuran 7547.42
    n-hexyl acetate 2034.69
    isooctane 380.24
    2-(2-butoxyethoxy)ethanol 1115.07
    sec-butyl acetate 1056.11
    tert-butyl acetate 1989.11
    decalin 579.45
    glycerin 716.19
    diglyme 1988.73
    acrylic acid 1570.01
    isopropyl myristate 541.78
    n-butyric acid 3157.92
    acetyl acetate 1523.06
    di(2-ethylhexyl) phthalate 376.31
    ethyl propionate 1267.8
    nitromethane 3504.39
    1,2-diethoxyethane 1769.07
    benzonitrile 2004.29
    trioctyl phosphate 337.89
    1-bromopropane 4093.34
    gamma-valerolactone 5137.54
    n-decanol 567.13
    triethyl phosphate 372.54
    4-methyl-2-pentanol 1179.13
    propionitrile 4730.9
    vinylene carbonate 1960.97
    1,1,2-trichlorotrifluoroethane 1947.52
    DMS 1052.84
    cumene 632.46
    2-octanol 908.41
    2-hexanone 1824.19
    octyl acetate 691.2
    limonene 1129.67
    1,2-dimethoxyethane 2630.27
    ethyl orthosilicate 415.74
    tributyl phosphate 408.15
    diacetone alcohol 1500.01
    N,N-dimethylaniline 693.45
    acrylonitrile 4166.77
    aniline 2407.43
    1,3-propanediol 1715.75
    bromobenzene 3010.11
    dibromomethane 4683.41
    1,1,2,2-tetrachloroethane 4187.02
    2-methyl-cyclohexyl acetate 853.69
    tetrabutyl urea 453.92
    diisobutyl methanol 704.79
    2-phenylethanol 1444.18
    styrene 1313.15
    dioctyl adipate 517.17
    dimethyl sulfate 855.98
    ethyl butyrate 1249.36
    methyl lactate 694.36
    butyl lactate 681.41
    diethyl carbonate 611.23
    propanediol butyl ether 897.31
    triethyl orthoformate 765.93
    p-tert-butyltoluene 592.91
    methyl 4-tert-butylbenzoate 773.13
    morpholine 7302.17
    tert-butylamine 2530.06
    n-dodecanol 403.86
    dimethoxymethane 2553.79
    ethylene carbonate 1994.68
    cyrene 560.11
    2-ethoxyethyl acetate 1362.81
    2-ethylhexyl acetate 1543.64
    1,2,4-trichlorobenzene 1780.1
    4-methylpyridine 4554.1
    dibutyl ether 1381.25
    2,6-dimethyl-4-heptanol 704.79
    DEF 2383.84
    dimethyl isosorbide 1247.89
    tetrachloroethylene 3151.51
    eugenol 649.02
    triacetin 829.84
    span 80 730.66
    1,4-butanediol 546.8
    1,1-dichloroethane 5154.3
    2-methyl-1-pentanol 1330.22
    methyl formate 1919.0
    2-methyl-1-butanol 2521.76
    n-decane 296.1
    butyronitrile 4671.8
    3,7-dimethyl-1-octanol 939.99
    1-chlorooctane 1020.68
    1-chlorotetradecane 295.51
    n-nonane 350.43
    undecane 199.78
    tert-butylcyclohexane 496.29
    cyclooctane 747.48
    cyclopentanol 3967.6
    tetrahydropyran 9410.99
    tert-amyl methyl ether 2351.92
    2,5,8-trioxanonane 1019.58
    1-hexene 2653.73
    2-isopropoxyethanol 999.55
    2,2,2-trifluoroethanol 744.56
    methyl butyrate 1633.78

    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