2-Butanone, 3-methyl-4-(4-(1-methylethyl)cyclohexyl)-

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  • Identifiers

    CAS number
    36779-84-7

    Molecular formula
    C14H26O

    SMILES
    CC(C)C1CCC(CC1)CC(C)C(=O)C

  • Odor profile

    Fragrance
    Woody 72.13%
    Floral 67.62%
    Herbal 51.69%
    Fresh 45.52%
    Dry 35.76%
    Fruity 35.72%
    Citrus 34.19%
    Rose 33.23%
    Spicy 32.8%
    Mint 31.49%

     

    Flavor
    Herbal 48.77%
    Woody 47.99%
    Herb 34.14%
    Fruity 31.18%
    Green 29.31%
    Floral 28.81%
    Spice 28.53%
    Citrus 27.98%
    Wood 27.97%
    Minty 26.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    9.48 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point

    • 106.07 ˚C est.

  • Synonyms

    • 36779-84-7
    • 2-Butanone, 3-methyl-4-(4-(1-methylethyl)cyclohexyl)-
    • EINECS 253-202-8
    • 2-Butanone, 3-methyl-4-[4-(1-methylethyl)cyclohexyl]-
    • DTXSID10884676
    • 3-Methyl-4-[4-(1-methylethyl)cyclohexyl]butan-2-one
    • 2-Butanone, 3-methyl-4-(4-(1 methylethyl)cyclohexyl)-
    • 3-Methyl-4-(4-(1-methylethyl)cyclohexyl)butan-2-one
    • SCHEMBL13235849
    • AOQWZIUVPJRSBX-UHFFFAOYSA-N
    • DTXCID301024105
    • DB-262417
    • NS00059007
    • 3-Methyl-4-[4-(1-methylethyl)cyclohexyl ]butan-2-one

  • Applications

    2-Butanone, 3-methyl-4-(4-(1-methylethyl)cyclohexyl)- (CAS 36779-84-7) is typically used as a fragrance ingredient and a fragrance intermediate, contributing to woody–amber notes in perfumery through its cyclohexyl substituent. It may also function as a solvent or carrier for aroma formulations in cosmetics and personal care products and can serve as an intermediate in fragrance synthesis for industrial manufacturing. In addition, it can be employed as a processing solvent in polymer and plastics applications and as a minor component in coatings and inks or household formulations where a distinctive odor profile is desired. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2373.0
    methanol 1307.26
    isopropanol 3009.83
    water 0.25
    ethyl acetate 3273.97
    n-propanol 2080.48
    acetone 2711.28
    n-butanol 1988.0
    acetonitrile 2118.42
    DMF 1348.89
    toluene 1248.2
    isobutanol 1515.12
    1,4-dioxane 4349.17
    methyl acetate 2088.74
    THF 4500.05
    2-butanone 2497.57
    n-pentanol 967.74
    sec-butanol 1703.28
    n-hexane 445.88
    ethylene glycol 99.53
    NMP 770.42
    cyclohexane 713.36
    DMSO 898.51
    n-butyl acetate 2402.95
    n-octanol 509.39
    chloroform 4498.25
    n-propyl acetate 1446.13
    acetic acid 725.63
    dichloromethane 3540.21
    cyclohexanone 2557.52
    propylene glycol 288.02
    isopropyl acetate 2127.66
    DMAc 1019.98
    2-ethoxyethanol 1114.88
    isopentanol 1713.35
    n-heptane 254.76
    ethyl formate 1128.41
    1,2-dichloroethane 2269.01
    n-hexanol 1614.57
    2-methoxyethanol 1902.97
    isobutyl acetate 1003.17
    tetrachloromethane 837.69
    n-pentyl acetate 1003.9
    transcutol 4548.54
    n-heptanol 557.5
    ethylbenzene 589.81
    MIBK 1280.0
    2-propoxyethanol 2020.46
    tert-butanol 3278.83
    MTBE 3859.46
    2-butoxyethanol 914.97
    propionic acid 850.54
    o-xylene 698.67
    formic acid 113.02
    diethyl ether 3633.24
    m-xylene 823.45
    p-xylene 727.37
    chlorobenzene 1290.55
    dimethyl carbonate 310.98
    n-octane 103.35
    formamide 225.62
    cyclopentanone 2246.2
    2-pentanone 2075.4
    anisole 1032.46
    cyclopentyl methyl ether 1887.12
    gamma-butyrolactone 2030.13
    1-methoxy-2-propanol 1758.43
    pyridine 2213.24
    3-pentanone 1333.7
    furfural 1475.69
    n-dodecane 56.34
    diethylene glycol 804.84
    diisopropyl ether 1060.27
    tert-amyl alcohol 1708.76
    acetylacetone 1822.15
    n-hexadecane 68.33
    acetophenone 749.48
    methyl propionate 1344.99
    isopentyl acetate 1970.78
    trichloroethylene 3355.3
    n-nonanol 438.71
    cyclohexanol 1610.51
    benzyl alcohol 677.04
    2-ethylhexanol 900.53
    isooctanol 492.85
    dipropyl ether 1568.93
    1,2-dichlorobenzene 1006.01
    ethyl lactate 368.54
    propylene carbonate 1211.14
    n-methylformamide 627.48
    2-pentanol 1437.04
    n-pentane 381.86
    1-propoxy-2-propanol 1830.81
    1-methoxy-2-propyl acetate 1775.97
    2-(2-methoxypropoxy) propanol 774.27
    mesitylene 523.91
    ε-caprolactone 2117.04
    p-cymene 374.02
    epichlorohydrin 2724.16
    1,1,1-trichloroethane 2759.86
    2-aminoethanol 414.6
    morpholine-4-carbaldehyde 1535.28
    sulfolane 1380.82
    2,2,4-trimethylpentane 155.87
    2-methyltetrahydrofuran 3317.25
    n-hexyl acetate 1230.81
    isooctane 159.6
    2-(2-butoxyethoxy)ethanol 1220.0
    sec-butyl acetate 1175.91
    tert-butyl acetate 1928.47
    decalin 228.78
    glycerin 285.84
    diglyme 2217.51
    acrylic acid 444.69
    isopropyl myristate 442.42
    n-butyric acid 1907.57
    acetyl acetate 1297.17
    di(2-ethylhexyl) phthalate 309.52
    ethyl propionate 1165.69
    nitromethane 1240.91
    1,2-diethoxyethane 2441.93
    benzonitrile 1091.1
    trioctyl phosphate 231.37
    1-bromopropane 1993.03
    gamma-valerolactone 2875.21
    n-decanol 307.2
    triethyl phosphate 367.12
    4-methyl-2-pentanol 834.03
    propionitrile 1890.47
    vinylene carbonate 979.58
    1,1,2-trichlorotrifluoroethane 1167.43
    DMS 725.84
    cumene 394.58
    2-octanol 422.04
    2-hexanone 1309.48
    octyl acetate 496.03
    limonene 621.46
    1,2-dimethoxyethane 2462.61
    ethyl orthosilicate 405.13
    tributyl phosphate 319.11
    diacetone alcohol 1300.75
    N,N-dimethylaniline 551.53
    acrylonitrile 1380.65
    aniline 1273.29
    1,3-propanediol 922.76
    bromobenzene 1430.26
    dibromomethane 2597.15
    1,1,2,2-tetrachloroethane 2770.85
    2-methyl-cyclohexyl acetate 731.9
    tetrabutyl urea 334.32
    diisobutyl methanol 545.86
    2-phenylethanol 806.51
    styrene 731.46
    dioctyl adipate 515.13
    dimethyl sulfate 357.36
    ethyl butyrate 1414.34
    methyl lactate 409.07
    butyl lactate 601.16
    diethyl carbonate 726.3
    propanediol butyl ether 729.57
    triethyl orthoformate 841.58
    p-tert-butyltoluene 389.99
    methyl 4-tert-butylbenzoate 618.86
    morpholine 4640.9
    tert-butylamine 2382.77
    n-dodecanol 228.78
    dimethoxymethane 1295.25
    ethylene carbonate 1005.07
    cyrene 445.86
    2-ethoxyethyl acetate 1314.32
    2-ethylhexyl acetate 1364.78
    1,2,4-trichlorobenzene 1072.87
    4-methylpyridine 2326.87
    dibutyl ether 1236.01
    2,6-dimethyl-4-heptanol 545.86
    DEF 1495.05
    dimethyl isosorbide 1144.18
    tetrachloroethylene 1700.34
    eugenol 541.86
    triacetin 871.45
    span 80 634.21
    1,4-butanediol 265.65
    1,1-dichloroethane 3167.72
    2-methyl-1-pentanol 833.69
    methyl formate 426.24
    2-methyl-1-butanol 1283.65
    n-decane 119.76
    butyronitrile 2194.95
    3,7-dimethyl-1-octanol 626.27
    1-chlorooctane 463.07
    1-chlorotetradecane 161.7
    n-nonane 126.91
    undecane 77.95
    tert-butylcyclohexane 225.41
    cyclooctane 201.42
    cyclopentanol 1312.3
    tetrahydropyran 4735.61
    tert-amyl methyl ether 1630.82
    2,5,8-trioxanonane 1243.15
    1-hexene 1271.52
    2-isopropoxyethanol 933.06
    2,2,2-trifluoroethanol 219.5
    methyl butyrate 1481.3

    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