Cyclohexyl methyl ketone

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  • Identifiers

    CAS number
    823-76-7

    Molecular formula
    C8H14O

    SMILES
    CC(=O)C1CCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 63.14%
    Mint 62.52%
    Ketonic 48.71%
    Camphoreous 47.46%
    Woody 46.14%
    Fruity 41.81%
    Fresh 34.9%
    Floral 32.45%
    Earthy 30.27%
    Musty 29.87%

     

    Flavor
    Fruity 55.47%
    Minty 38.63%
    Fruit 26.08%
    Mint 25.82%
    Camphor 23.54%
    Berry 22.03%
    Sweet 21.05%
    Herb 20.99%
    Plant 20.66%
    Pungent 19.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.8 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    179°C

    Flash point

    • 57.97 ˚C est.

  • Synonyms

    • 1-Cyclohexylethanone
    • 823-76-7
    • Cyclohexyl methyl ketone
    • 1-Cyclohexylethan-1-one
    • Acetylcyclohexane
    • Ethanone, 1-cyclohexyl-
    • 1-Acetylcyclohexane
    • Methyl cyclohexyl ketone
    • Cyclohexylethanone
    • Cyclohexane, acetyl-
    • Ketone, cyclohexyl methyl
    • Acetophenone, hexahydro-
    • 1-cyclohexyl-ethanone
    • Hexahydroacetophenone
    • NSC 16249
    • EINECS 212-517-0
    • MFCD00040418
    • UNII-U53404H6B8
    • Cyclohexylmethyl ketone
    • NSC-16249
    • U53404H6B8
    • c-C6H11COCH3
    • DTXSID40231674
    • 1-cyclohexylacetaldehyde
    • 1-Cyclohexylethanone #
    • 1-cyclohexyl-1-ethanone
    • CYCLOHEXYLMETHYLKETONE
    • SCHEMBL28019
    • CHEMBL5272368
    • Ethanone, 1-cyclohexyl-(9CI)
    • SCHEMBL12891744
    • DTXCID70154165
    • CHEBI:195514
    • Ketone, cyclohexyl methyl (8CI)
    • AAA82376
    • NSC16249
    • AKOS005206946
    • CS-W007597
    • PS-4108
    • SB12754
    • SY013522
    • NS00038193
    • EN300-20257
    • P10040
    • Q27290697
    • F0001-2108

  • Applications

    Cyclohexyl methyl ketone (CAS 823-76-7) is used primarily as an intermediate in fragrance chemistry, serving as a building block for cyclohexyl-containing aroma compounds and as a potential odorant in perfumery. It also functions as a solvent or processing aid in industrial coatings, inks, and cleaning formulations, and can act as a chemical intermediate in polymer and plastics synthesis. In pharmaceutical synthesis, it may be used as a ketone building block for related intermediates. Use in cosmetics/personal care and other applications is typically governed by formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1356.21
    methanol 1500.44
    isopropanol 1399.34
    water 1.61
    ethyl acetate 1189.79
    n-propanol 1328.22
    acetone 1708.08
    n-butanol 1051.19
    acetonitrile 1958.12
    DMF 1798.84
    toluene 814.28
    isobutanol 1013.65
    1,4-dioxane 2276.9
    methyl acetate 1284.32
    THF 2572.94
    2-butanone 1474.32
    n-pentanol 658.42
    sec-butanol 1066.2
    n-hexane 350.54
    ethylene glycol 223.9
    NMP 1656.63
    cyclohexane 422.31
    DMSO 1411.13
    n-butyl acetate 922.39
    n-octanol 499.63
    chloroform 5577.36
    n-propyl acetate 736.12
    acetic acid 1089.31
    dichloromethane 3741.26
    cyclohexanone 2007.95
    propylene glycol 403.01
    isopropyl acetate 751.43
    DMAc 933.88
    2-ethoxyethanol 698.14
    isopentanol 855.37
    n-heptane 183.72
    ethyl formate 768.14
    1,2-dichloroethane 1975.77
    n-hexanol 868.62
    2-methoxyethanol 1167.15
    isobutyl acetate 498.01
    tetrachloromethane 930.64
    n-pentyl acetate 668.67
    transcutol 2416.06
    n-heptanol 459.54
    ethylbenzene 411.62
    MIBK 661.67
    2-propoxyethanol 1107.91
    tert-butanol 1350.88
    MTBE 1122.4
    2-butoxyethanol 672.4
    propionic acid 1234.55
    o-xylene 437.82
    formic acid 263.83
    diethyl ether 1211.42
    m-xylene 480.28
    p-xylene 521.18
    chlorobenzene 1293.57
    dimethyl carbonate 299.64
    n-octane 88.44
    formamide 350.99
    cyclopentanone 2199.48
    2-pentanone 1073.57
    anisole 729.05
    cyclopentyl methyl ether 1187.43
    gamma-butyrolactone 2358.4
    1-methoxy-2-propanol 1025.78
    pyridine 2157.21
    3-pentanone 824.53
    furfural 1787.2
    n-dodecane 64.83
    diethylene glycol 656.48
    diisopropyl ether 381.36
    tert-amyl alcohol 922.53
    acetylacetone 1033.61
    n-hexadecane 75.9
    acetophenone 625.18
    methyl propionate 815.03
    isopentyl acetate 752.66
    trichloroethylene 3626.94
    n-nonanol 404.18
    cyclohexanol 1043.01
    benzyl alcohol 563.83
    2-ethylhexanol 484.86
    isooctanol 373.38
    dipropyl ether 677.44
    1,2-dichlorobenzene 1028.68
    ethyl lactate 326.19
    propylene carbonate 1162.09
    n-methylformamide 966.11
    2-pentanol 735.11
    n-pentane 258.56
    1-propoxy-2-propanol 837.98
    1-methoxy-2-propyl acetate 712.12
    2-(2-methoxypropoxy) propanol 531.42
    mesitylene 319.99
    ε-caprolactone 1532.62
    p-cymene 250.69
    epichlorohydrin 2203.99
    1,1,1-trichloroethane 2289.96
    2-aminoethanol 558.16
    morpholine-4-carbaldehyde 1444.35
    sulfolane 2251.34
    2,2,4-trimethylpentane 105.84
    2-methyltetrahydrofuran 1946.51
    n-hexyl acetate 916.01
    isooctane 93.7
    2-(2-butoxyethoxy)ethanol 804.19
    sec-butyl acetate 503.77
    tert-butyl acetate 730.09
    decalin 172.13
    glycerin 471.55
    diglyme 1376.67
    acrylic acid 977.8
    isopropyl myristate 320.82
    n-butyric acid 1385.66
    acetyl acetate 684.05
    di(2-ethylhexyl) phthalate 263.55
    ethyl propionate 603.4
    nitromethane 1710.03
    1,2-diethoxyethane 943.15
    benzonitrile 1161.05
    trioctyl phosphate 203.85
    1-bromopropane 1515.31
    gamma-valerolactone 2223.23
    n-decanol 285.28
    triethyl phosphate 238.13
    4-methyl-2-pentanol 403.06
    propionitrile 1659.6
    vinylene carbonate 1113.78
    1,1,2-trichlorotrifluoroethane 1260.67
    DMS 593.65
    cumene 274.24
    2-octanol 358.53
    2-hexanone 828.03
    octyl acetate 402.09
    limonene 380.44
    1,2-dimethoxyethane 1228.34
    ethyl orthosilicate 239.24
    tributyl phosphate 252.76
    diacetone alcohol 733.23
    N,N-dimethylaniline 428.19
    acrylonitrile 1919.85
    aniline 993.44
    1,3-propanediol 733.84
    bromobenzene 1411.12
    dibromomethane 2744.38
    1,1,2,2-tetrachloroethane 2985.31
    2-methyl-cyclohexyl acetate 425.43
    tetrabutyl urea 300.24
    diisobutyl methanol 303.88
    2-phenylethanol 594.22
    styrene 577.16
    dioctyl adipate 401.29
    dimethyl sulfate 457.53
    ethyl butyrate 599.85
    methyl lactate 414.25
    butyl lactate 476.74
    diethyl carbonate 368.76
    propanediol butyl ether 648.09
    triethyl orthoformate 395.45
    p-tert-butyltoluene 243.27
    methyl 4-tert-butylbenzoate 513.6
    morpholine 2249.56
    tert-butylamine 902.84
    n-dodecanol 209.9
    dimethoxymethane 795.8
    ethylene carbonate 935.01
    cyrene 388.99
    2-ethoxyethyl acetate 683.4
    2-ethylhexyl acetate 552.78
    1,2,4-trichlorobenzene 1133.42
    4-methylpyridine 1892.88
    dibutyl ether 657.69
    2,6-dimethyl-4-heptanol 303.88
    DEF 1018.8
    dimethyl isosorbide 760.49
    tetrachloroethylene 1940.95
    eugenol 496.43
    triacetin 659.96
    span 80 549.61
    1,4-butanediol 298.2
    1,1-dichloroethane 2723.43
    2-methyl-1-pentanol 524.98
    methyl formate 679.28
    2-methyl-1-butanol 781.77
    n-decane 116.54
    butyronitrile 1427.72
    3,7-dimethyl-1-octanol 455.12
    1-chlorooctane 429.85
    1-chlorotetradecane 155.46
    n-nonane 127.55
    undecane 83.52
    tert-butylcyclohexane 168.48
    cyclooctane 134.14
    cyclopentanol 1266.49
    tetrahydropyran 2082.26
    tert-amyl methyl ether 679.05
    2,5,8-trioxanonane 813.14
    1-hexene 844.15
    2-isopropoxyethanol 564.75
    2,2,2-trifluoroethanol 352.68
    methyl butyrate 857.02

    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