2-Pentanone, 4-cyclohexyl-4-methyl-

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  • Identifiers

    CAS number
    4927-39-3

    Molecular formula
    C12H22O

    SMILES
    CC(=O)CC(C)(C)C1CCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 85.25%
    Floral 75.68%
    Orris 47.53%
    Dry 44.3%
    Amber 41.34%
    Violet 39.85%
    Waxy 39.7%
    Musk 37.21%
    Vetiver 36.95%
    Sweet 36.79%

     

    Flavor
    Woody 47.74%
    Green 46.06%
    Earthy 33.22%
    Herbal 33.13%
    Floral 29.81%
    Sweet 29.35%
    Citrus 26.51%
    Wood 25.47%
    Dry 25.04%
    Fresh 23.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.57 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point

    • 97.31 ˚C est.

  • Synonyms

    • 4-Cyclohexyl-4-methylpentan-2-one
    • 4927-39-3
    • 2-Pentanone, 4-cyclohexyl-4-methyl-
    • 4-Cyclohexyl-4-methyl-2-pentanone
    • 4-Cyclohexyl-4-methyl-pentan-2-one
    • VETIVAL
    • UNII-D21000AYE2
    • DTXSID8047682
    • D21000AYE2
    • EINECS 225-562-6
    • NSC 240005
    • NSC-240005
    • DTXCID6027682
    • NSC240005
    • SCHEMBL538596
    • CHEMBL3182057
    • OAFJAALOFJVHMK-UHFFFAOYSA-N
    • Tox21_303636
    • BBL009812
    • MFCD00464125
    • STK801272
    • AKOS005608370
    • 4,4-dimethyl-4-cyclohexyl-2-butanone
    • NCGC00256736-01
    • VS-02195
    • CAS-4927-39-3
    • DB-282163
    • CS-0332004
    • NS00012169
    • 4-cyclohexyl-4-methyl-pentan-2-one, AldrichCPR
    • Q27275990
    • 225-562-6

  • Applications

    2-Pentanone, 4-cyclohexyl-4-methyl- (CAS 4927-39-3) is used as a specialty solvent and synthetic intermediate across several industries: in perfumery and cosmetics as a fragrance ingredient or solvent component; in household cleaning and air freshener formulations as a solvent; in coatings, inks and adhesives as a processing solvent or carrier for additives; in industrial manufacturing and pharmaceutical-related synthesis as an intermediate for organic chemicals; and in polymer/plastics processing as a solvent or processing aid; all usages are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2943.49
    methanol 3179.67
    isopropanol 3371.1
    water 0.9
    ethyl acetate 3625.11
    n-propanol 3344.2
    acetone 4238.21
    n-butanol 3330.74
    acetonitrile 3836.66
    DMF 2908.27
    toluene 2413.05
    isobutanol 2879.37
    1,4-dioxane 4945.67
    methyl acetate 2880.06
    THF 7360.61
    2-butanone 3741.1
    n-pentanol 1433.43
    sec-butanol 2731.94
    n-hexane 1061.87
    ethylene glycol 340.18
    NMP 2675.59
    cyclohexane 2040.9
    DMSO 1921.23
    n-butyl acetate 2636.83
    n-octanol 981.97
    chloroform 7542.76
    n-propyl acetate 1479.73
    acetic acid 1526.76
    dichloromethane 5196.31
    cyclohexanone 5560.99
    propylene glycol 754.14
    isopropyl acetate 2443.59
    DMAc 1726.12
    2-ethoxyethanol 1104.08
    isopentanol 2673.44
    n-heptane 577.15
    ethyl formate 1768.41
    1,2-dichloroethane 3733.57
    n-hexanol 3026.66
    2-methoxyethanol 2492.23
    isobutyl acetate 1025.54
    tetrachloromethane 1538.57
    n-pentyl acetate 1250.18
    transcutol 4212.94
    n-heptanol 1012.28
    ethylbenzene 1040.98
    MIBK 1810.52
    2-propoxyethanol 2584.63
    tert-butanol 3525.78
    MTBE 4210.21
    2-butoxyethanol 1188.84
    propionic acid 2140.33
    o-xylene 1270.17
    formic acid 368.63
    diethyl ether 4203.7
    m-xylene 1569.25
    p-xylene 1216.64
    chlorobenzene 2627.69
    dimethyl carbonate 729.24
    n-octane 185.26
    formamide 482.17
    cyclopentanone 5242.23
    2-pentanone 3322.45
    anisole 1360.99
    cyclopentyl methyl ether 4019.97
    gamma-butyrolactone 4932.75
    1-methoxy-2-propanol 2291.3
    pyridine 3273.59
    3-pentanone 2566.46
    furfural 2799.14
    n-dodecane 99.83
    diethylene glycol 1132.52
    diisopropyl ether 1357.11
    tert-amyl alcohol 2635.76
    acetylacetone 2493.35
    n-hexadecane 123.36
    acetophenone 1053.53
    methyl propionate 2405.56
    isopentyl acetate 2222.4
    trichloroethylene 5749.34
    n-nonanol 781.97
    cyclohexanol 3837.81
    benzyl alcohol 964.07
    2-ethylhexanol 1456.93
    isooctanol 789.88
    dipropyl ether 1988.85
    1,2-dichlorobenzene 1851.82
    ethyl lactate 526.53
    propylene carbonate 2543.95
    n-methylformamide 1793.88
    2-pentanol 2301.22
    n-pentane 990.65
    1-propoxy-2-propanol 2148.09
    1-methoxy-2-propyl acetate 2006.96
    2-(2-methoxypropoxy) propanol 889.65
    mesitylene 983.7
    ε-caprolactone 4028.28
    p-cymene 601.27
    epichlorohydrin 4782.66
    1,1,1-trichloroethane 4621.38
    2-aminoethanol 972.2
    morpholine-4-carbaldehyde 2638.14
    sulfolane 3829.96
    2,2,4-trimethylpentane 315.79
    2-methyltetrahydrofuran 5787.73
    n-hexyl acetate 1923.77
    isooctane 288.52
    2-(2-butoxyethoxy)ethanol 1414.86
    sec-butyl acetate 1161.49
    tert-butyl acetate 2259.23
    decalin 492.03
    glycerin 717.83
    diglyme 2386.98
    acrylic acid 1366.14
    isopropyl myristate 638.57
    n-butyric acid 3241.28
    acetyl acetate 1605.48
    di(2-ethylhexyl) phthalate 460.8
    ethyl propionate 1394.63
    nitromethane 2438.56
    1,2-diethoxyethane 1898.28
    benzonitrile 1791.33
    trioctyl phosphate 383.23
    1-bromopropane 3550.3
    gamma-valerolactone 4894.99
    n-decanol 532.03
    triethyl phosphate 446.28
    4-methyl-2-pentanol 1218.97
    propionitrile 3731.49
    vinylene carbonate 1989.18
    1,1,2-trichlorotrifluoroethane 2273.42
    DMS 1147.01
    cumene 625.86
    2-octanol 734.74
    2-hexanone 1707.09
    octyl acetate 782.38
    limonene 1144.75
    1,2-dimethoxyethane 2400.62
    ethyl orthosilicate 474.11
    tributyl phosphate 500.36
    diacetone alcohol 1862.83
    N,N-dimethylaniline 782.41
    acrylonitrile 3029.89
    aniline 2242.12
    1,3-propanediol 1405.63
    bromobenzene 2773.96
    dibromomethane 4164.11
    1,1,2,2-tetrachloroethane 5005.26
    2-methyl-cyclohexyl acetate 944.1
    tetrabutyl urea 567.33
    diisobutyl methanol 743.92
    2-phenylethanol 1275.73
    styrene 1189.61
    dioctyl adipate 702.24
    dimethyl sulfate 942.5
    ethyl butyrate 1383.56
    methyl lactate 830.64
    butyl lactate 894.87
    diethyl carbonate 749.34
    propanediol butyl ether 1106.87
    triethyl orthoformate 867.06
    p-tert-butyltoluene 606.89
    methyl 4-tert-butylbenzoate 934.65
    morpholine 5592.01
    tert-butylamine 2908.82
    n-dodecanol 378.23
    dimethoxymethane 2171.29
    ethylene carbonate 2027.33
    cyrene 681.08
    2-ethoxyethyl acetate 1376.83
    2-ethylhexyl acetate 1680.07
    1,2,4-trichlorobenzene 2046.36
    4-methylpyridine 3765.36
    dibutyl ether 1461.68
    2,6-dimethyl-4-heptanol 743.92
    DEF 2565.2
    dimethyl isosorbide 1546.95
    tetrachloroethylene 3060.96
    eugenol 755.27
    triacetin 1163.37
    span 80 969.78
    1,4-butanediol 435.31
    1,1-dichloroethane 4924.9
    2-methyl-1-pentanol 1201.65
    methyl formate 1296.9
    2-methyl-1-butanol 2587.99
    n-decane 221.92
    butyronitrile 4003.61
    3,7-dimethyl-1-octanol 1003.72
    1-chlorooctane 871.95
    1-chlorotetradecane 272.18
    n-nonane 251.8
    undecane 141.48
    tert-butylcyclohexane 439.39
    cyclooctane 573.41
    cyclopentanol 3330.54
    tetrahydropyran 7237.6
    tert-amyl methyl ether 2383.68
    2,5,8-trioxanonane 1302.98
    1-hexene 2349.5
    2-isopropoxyethanol 924.89
    2,2,2-trifluoroethanol 548.63
    methyl butyrate 1808.79

    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