3-Pentanone, 1-(2,2,6-trimethylcyclohexyl)-

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  • Identifiers

    CAS number
    60241-69-2

    Molecular formula
    C14H26O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.94%
    Amber 53.68%
    Dry 49.11%
    Musk 47.46%
    Floral 46.95%
    Orris 46.49%
    Cedar 41.54%
    Powdery 39.38%
    Vetiver 38.42%
    Violet 38.21%

     

    Flavor
    Woody 60.82%
    Floral 42.51%
    Sweet 39.97%
    Herbal 39.43%
    Fruity 36.82%
    Green 32.49%
    Amber 27.46%
    Fresh 27.18%
    Earthy 27.14%
    Spicy 26.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.72 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    280°C

    Flash point

    • 109.55 ˚C est.

  • Synonyms

    • 60241-69-2
    • EINECS 262-120-1
    • 3-Pentanone, 1-(2,2,6-trimethylcyclohexyl)-
    • 1-(2,2,6-Trimethylcyclohexyl)-3-pentanone
    • DTXSID80886167
    • RefChem:95268
    • DTXCID801025508
    • 1-(2,2,6-Trimethylcyclohexyl)pentan-3-one
    • SCHEMBL813797
    • KFDYBYSVIGXWSM-UHFFFAOYSA-N
    • DB-322356
    • NS00056112
    • 60241-69-2

  • Applications

    3-Pentanone, 1-(2,2,6-trimethylcyclohexyl)- (CAS 60241-69-2) is primarily used in fragrance and cosmetics as a fragrance ingredient, contributing to odor profiles in perfumery formulations, and may also function as a solvent or processing aid in industrial manufacturing. It is commonly evaluated as an intermediate in fragrance synthesis and may appear as a scent component in household products such as cleaners and air fresheners. In polymers and plastics processing, it can serve as a processing solvent or chemical intermediate in formulation steps, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7372.42
    methanol 6307.2
    isopropanol 5971.04
    water 1.64
    ethyl acetate 10739.95
    n-propanol 6069.24
    acetone 9143.56
    n-butanol 6232.17
    acetonitrile 6574.32
    DMF 6533.26
    toluene 4398.93
    isobutanol 4332.87
    1,4-dioxane 12393.93
    methyl acetate 5178.29
    THF 14943.0
    2-butanone 6369.54
    n-pentanol 2338.39
    sec-butanol 3734.34
    n-hexane 728.34
    ethylene glycol 383.48
    NMP 3754.16
    cyclohexane 2182.13
    DMSO 2893.23
    n-butyl acetate 6697.99
    n-octanol 919.24
    chloroform 10656.2
    n-propyl acetate 3402.24
    acetic acid 3316.73
    dichloromethane 10216.62
    cyclohexanone 8762.01
    propylene glycol 666.46
    isopropyl acetate 7198.76
    DMAc 3576.66
    2-ethoxyethanol 2839.23
    isopentanol 5078.03
    n-heptane 441.68
    ethyl formate 3778.63
    1,2-dichloroethane 7390.34
    n-hexanol 4355.67
    2-methoxyethanol 6203.24
    isobutyl acetate 2254.63
    tetrachloromethane 2104.53
    n-pentyl acetate 2393.6
    transcutol 12685.92
    n-heptanol 1174.97
    ethylbenzene 1349.11
    MIBK 4063.28
    2-propoxyethanol 6307.35
    tert-butanol 6251.77
    MTBE 10010.05
    2-butoxyethanol 2288.93
    propionic acid 2726.18
    o-xylene 1717.33
    formic acid 865.96
    diethyl ether 12234.45
    m-xylene 2486.73
    p-xylene 1602.69
    chlorobenzene 4476.66
    dimethyl carbonate 1456.98
    n-octane 113.82
    formamide 1592.62
    cyclopentanone 7363.8
    2-pentanone 7152.59
    anisole 2695.47
    cyclopentyl methyl ether 7609.31
    gamma-butyrolactone 7440.18
    1-methoxy-2-propanol 4874.02
    pyridine 7162.69
    3-pentanone 4309.4
    furfural 4986.46
    n-dodecane 63.04
    diethylene glycol 2299.52
    diisopropyl ether 3345.15
    tert-amyl alcohol 3760.95
    acetylacetone 6146.45
    n-hexadecane 79.12
    acetophenone 1726.71
    methyl propionate 5155.29
    isopentyl acetate 5788.96
    trichloroethylene 11218.17
    n-nonanol 810.25
    cyclohexanol 4741.89
    benzyl alcohol 1520.55
    2-ethylhexanol 2066.32
    isooctanol 932.4
    dipropyl ether 4031.72
    1,2-dichlorobenzene 3061.79
    ethyl lactate 799.15
    propylene carbonate 3999.36
    n-methylformamide 3575.34
    2-pentanol 3627.85
    n-pentane 966.82
    1-propoxy-2-propanol 4330.43
    1-methoxy-2-propyl acetate 5852.46
    2-(2-methoxypropoxy) propanol 1694.63
    mesitylene 1459.41
    ε-caprolactone 7096.74
    p-cymene 821.82
    epichlorohydrin 9222.0
    1,1,1-trichloroethane 6845.97
    2-aminoethanol 1426.26
    morpholine-4-carbaldehyde 5601.14
    sulfolane 4398.61
    2,2,4-trimethylpentane 338.5
    2-methyltetrahydrofuran 11778.6
    n-hexyl acetate 3178.18
    isooctane 327.77
    2-(2-butoxyethoxy)ethanol 2757.88
    sec-butyl acetate 2876.56
    tert-butyl acetate 6161.81
    decalin 512.98
    glycerin 786.84
    diglyme 5759.83
    acrylic acid 1706.46
    isopropyl myristate 907.84
    n-butyric acid 6359.61
    acetyl acetate 4774.78
    di(2-ethylhexyl) phthalate 666.63
    ethyl propionate 3093.48
    nitromethane 5679.22
    1,2-diethoxyethane 6564.74
    benzonitrile 2989.64
    trioctyl phosphate 487.37
    1-bromopropane 5420.71
    gamma-valerolactone 10384.69
    n-decanol 525.16
    triethyl phosphate 897.13
    4-methyl-2-pentanol 1976.43
    propionitrile 5679.8
    vinylene carbonate 3445.77
    1,1,2-trichlorotrifluoroethane 3471.36
    DMS 2040.37
    cumene 786.93
    2-octanol 704.0
    2-hexanone 2959.24
    octyl acetate 1069.66
    limonene 1472.1
    1,2-dimethoxyethane 6228.63
    ethyl orthosilicate 1057.95
    tributyl phosphate 791.52
    diacetone alcohol 3596.95
    N,N-dimethylaniline 1345.26
    acrylonitrile 4694.32
    aniline 4111.66
    1,3-propanediol 2967.74
    bromobenzene 4847.99
    dibromomethane 6862.79
    1,1,2,2-tetrachloroethane 7512.66
    2-methyl-cyclohexyl acetate 1941.41
    tetrabutyl urea 808.84
    diisobutyl methanol 1107.58
    2-phenylethanol 2235.05
    styrene 1831.39
    dioctyl adipate 1111.31
    dimethyl sulfate 1448.37
    ethyl butyrate 3648.14
    methyl lactate 1142.87
    butyl lactate 1357.2
    diethyl carbonate 1857.57
    propanediol butyl ether 1359.71
    triethyl orthoformate 2220.93
    p-tert-butyltoluene 872.35
    methyl 4-tert-butylbenzoate 1413.42
    morpholine 14834.1
    tert-butylamine 5014.25
    n-dodecanol 355.98
    dimethoxymethane 6296.48
    ethylene carbonate 3749.29
    cyrene 985.71
    2-ethoxyethyl acetate 3591.74
    2-ethylhexyl acetate 4128.79
    1,2,4-trichlorobenzene 3350.2
    4-methylpyridine 8140.81
    dibutyl ether 2240.62
    2,6-dimethyl-4-heptanol 1107.58
    DEF 6495.3
    dimethyl isosorbide 3051.57
    tetrachloroethylene 5188.32
    eugenol 1160.15
    triacetin 1888.63
    span 80 1330.62
    1,4-butanediol 584.56
    1,1-dichloroethane 7883.99
    2-methyl-1-pentanol 1935.97
    methyl formate 2203.35
    2-methyl-1-butanol 3944.6
    n-decane 146.57
    butyronitrile 6970.02
    3,7-dimethyl-1-octanol 1170.41
    1-chlorooctane 785.78
    1-chlorotetradecane 232.19
    n-nonane 144.54
    undecane 91.26
    tert-butylcyclohexane 414.35
    cyclooctane 551.58
    cyclopentanol 3730.91
    tetrahydropyran 16837.53
    tert-amyl methyl ether 4278.45
    2,5,8-trioxanonane 2961.65
    1-hexene 2475.66
    2-isopropoxyethanol 1847.22
    2,2,2-trifluoroethanol 949.61
    methyl butyrate 3867.68

    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