Dicyclohexyl ketone

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  • Identifiers

    CAS number
    119-60-8

    Molecular formula
    C13H22O

    SMILES
    C1CCC(CC1)C(=O)C2CCCCC2

    Safety labels

    Explosive
    Explosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 63.16%
    Green 61.87%
    Herbal 52.97%
    Fresh 43.42%
    Floral 42.79%
    Woody 42.77%
    Mint 38.23%
    Jasmin 33.76%
    Tropical 32.65%
    Natural 31.26%

     

    Flavor
    Animal 28.94%
    Shrimp 21.9%
    Alkaline 21.66%
    Soil 20.6%
    Beet 20.34%
    Cereal 19.68%
    Plant 19.63%
    Cauliflower 19.23%
    Cedarleaf 19.06%
    Lovage 19.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.29 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    283°C

    Flash point

    • 115.68 ˚C est.

  • Synonyms

    • Dicyclohexyl ketone
    • Dicyclohexylmethanone
    • Methanone, dicyclohexyl-
    • Cyclohexane ketone
    • KETONE, DICYCLOHEXYL
    • NSC 49725
    • EINECS 204-336-0
    • UNII-4JW244G15F
    • BRN 1909406
    • AI3-05564
    • 4JW244G15F
    • NSC-49725
    • NSC-60007
    • DTXSID7059488
    • TWXWPPKDQOWNSX-UHFFFAOYSA-
    • EC 204-336-0
    • 4-07-00-00262 (Beilstein Handbook Reference)
    • RefChem:133236
    • Cyclohexyl ketone (8CI)
    • DTXCID5033466
    • 204-336-0
    • CYCLOHEXYL KETONE
    • InChI=1/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
    • TWXWPPKDQOWNSX-UHFFFAOYSA-N
    • 119-60-8
    • dicyclohexyl-methanone
    • MFCD00040417
    • dicylohexyl ketone
    • Dicyclohexyl-methanone; Bicyclohexyl Ketone; Dicyclohexylmethanone; NSC 49725; NSC 60007;
    • Dodecahydrobenzophenone
    • Dicyclohexylmethanone #
    • Dicyclohexyl ketone, 98%
    • SCHEMBL346017
    • orb1306611
    • NSC49725
    • NSC60007
    • AKOS009157166
    • BS-19979
    • SY052142
    • DB-243398
    • CS-0130377
    • D2258
    • NS00020939
    • ST51038578
    • D84279
    • EN300-114489
    • F511508
    • Q27259791
    • Dicyclohexyl ketone

  • Applications

    Dicyclohexyl ketone (CAS 119-60-8) is a ketone with two cyclohexyl groups, commonly used as an organic synthesis intermediate and as a raw material for materials processing. In industrial practice, it is often viewed as an intermediate for the synthesis of fragrance and cosmetic compounds, and may serve as an odorant or fixative and as a building block for other fragrance constituents. It is also used as a solvent or reagent in industrial manufacturing; a precursor for polymers/plastics and for coatings and inks formulations. Additionally, it may be evaluated as a pharmaceutical intermediate in synthetic routes and can appear in cleaning formulation contexts depending on regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 714.97
    methanol 478.62
    isopropanol 884.65
    water 0.75
    ethyl acetate 1836.06
    n-propanol 919.99
    acetone 2449.45
    n-butanol 912.73
    acetonitrile 1777.38
    DMF 2843.26
    toluene 1668.61
    isobutanol 838.61
    1,4-dioxane 2460.73
    methyl acetate 1669.63
    THF 3639.57
    2-butanone 2163.46
    n-pentanol 490.35
    sec-butanol 769.39
    n-hexane 292.52
    ethylene glycol 88.22
    NMP 2637.49
    cyclohexane 793.73
    DMSO 1088.18
    n-butyl acetate 1671.3
    n-octanol 571.22
    chloroform 9610.06
    n-propyl acetate 1238.56
    acetic acid 986.56
    dichloromethane 6932.72
    cyclohexanone 4487.76
    propylene glycol 187.75
    isopropyl acetate 1308.63
    DMAc 1715.06
    2-ethoxyethanol 554.85
    isopentanol 875.46
    n-heptane 240.17
    ethyl formate 1588.6
    1,2-dichloroethane 4089.89
    n-hexanol 608.95
    2-methoxyethanol 1149.33
    isobutyl acetate 794.76
    tetrachloromethane 1625.58
    n-pentyl acetate 1365.05
    transcutol 1805.04
    n-heptanol 471.2
    ethylbenzene 777.6
    MIBK 1114.81
    2-propoxyethanol 823.96
    tert-butanol 898.2
    MTBE 1001.98
    2-butoxyethanol 789.56
    propionic acid 1055.63
    o-xylene 889.75
    formic acid 183.82
    diethyl ether 1206.58
    m-xylene 874.7
    p-xylene 1095.15
    chlorobenzene 3270.56
    dimethyl carbonate 712.87
    n-octane 146.75
    formamide 428.6
    cyclopentanone 4756.38
    2-pentanone 1862.99
    anisole 1161.86
    cyclopentyl methyl ether 1791.55
    gamma-butyrolactone 4697.47
    1-methoxy-2-propanol 990.93
    pyridine 4467.48
    3-pentanone 1510.8
    furfural 3688.26
    n-dodecane 92.44
    diethylene glycol 388.32
    diisopropyl ether 459.79
    tert-amyl alcohol 709.52
    acetylacetone 1978.83
    n-hexadecane 115.24
    acetophenone 1241.33
    methyl propionate 1454.36
    isopentyl acetate 1368.69
    trichloroethylene 9083.39
    n-nonanol 488.94
    cyclohexanol 1421.63
    benzyl alcohol 860.58
    2-ethylhexanol 546.09
    isooctanol 439.37
    dipropyl ether 837.59
    1,2-dichlorobenzene 2607.21
    ethyl lactate 460.69
    propylene carbonate 2867.2
    n-methylformamide 1364.76
    2-pentanol 698.67
    n-pentane 266.52
    1-propoxy-2-propanol 802.78
    1-methoxy-2-propyl acetate 1043.4
    2-(2-methoxypropoxy) propanol 521.71
    mesitylene 599.49
    ε-caprolactone 3213.14
    p-cymene 482.91
    epichlorohydrin 4301.99
    1,1,1-trichloroethane 4638.07
    2-aminoethanol 275.6
    morpholine-4-carbaldehyde 2222.08
    sulfolane 3602.63
    2,2,4-trimethylpentane 113.95
    2-methyltetrahydrofuran 2705.38
    n-hexyl acetate 1571.84
    isooctane 101.04
    2-(2-butoxyethoxy)ethanol 779.87
    sec-butyl acetate 816.41
    tert-butyl acetate 1155.21
    decalin 269.73
    glycerin 257.19
    diglyme 1812.74
    acrylic acid 962.96
    isopropyl myristate 578.2
    n-butyric acid 1924.82
    acetyl acetate 1328.62
    di(2-ethylhexyl) phthalate 403.3
    ethyl propionate 1078.2
    nitromethane 2273.09
    1,2-diethoxyethane 1185.6
    benzonitrile 2225.77
    trioctyl phosphate 322.12
    1-bromopropane 2149.29
    gamma-valerolactone 4453.09
    n-decanol 337.04
    triethyl phosphate 482.72
    4-methyl-2-pentanol 438.3
    propionitrile 1842.44
    vinylene carbonate 2736.55
    1,1,2-trichlorotrifluoroethane 2129.8
    DMS 986.11
    cumene 476.1
    2-octanol 431.12
    2-hexanone 1139.2
    octyl acetate 688.45
    limonene 663.3
    1,2-dimethoxyethane 1588.93
    ethyl orthosilicate 437.28
    tributyl phosphate 434.38
    diacetone alcohol 953.81
    N,N-dimethylaniline 659.09
    acrylonitrile 2193.21
    aniline 1627.24
    1,3-propanediol 617.08
    bromobenzene 3716.63
    dibromomethane 4444.54
    1,1,2,2-tetrachloroethane 6624.98
    2-methyl-cyclohexyl acetate 757.57
    tetrabutyl urea 543.61
    diisobutyl methanol 393.61
    2-phenylethanol 733.18
    styrene 1143.52
    dioctyl adipate 723.49
    dimethyl sulfate 889.39
    ethyl butyrate 1161.87
    methyl lactate 588.65
    butyl lactate 810.82
    diethyl carbonate 819.3
    propanediol butyl ether 607.08
    triethyl orthoformate 800.35
    p-tert-butyltoluene 443.53
    methyl 4-tert-butylbenzoate 949.32
    morpholine 2598.72
    tert-butylamine 687.47
    n-dodecanol 251.77
    dimethoxymethane 1324.57
    ethylene carbonate 2401.4
    cyrene 539.4
    2-ethoxyethyl acetate 1173.72
    2-ethylhexyl acetate 1107.43
    1,2,4-trichlorobenzene 2670.99
    4-methylpyridine 3776.87
    dibutyl ether 1011.94
    2,6-dimethyl-4-heptanol 393.61
    DEF 2026.36
    dimethyl isosorbide 1071.69
    tetrachloroethylene 4341.74
    eugenol 715.77
    triacetin 1066.63
    span 80 639.7
    1,4-butanediol 199.38
    1,1-dichloroethane 4499.1
    2-methyl-1-pentanol 488.2
    methyl formate 1169.74
    2-methyl-1-butanol 763.58
    n-decane 181.32
    butyronitrile 2072.81
    3,7-dimethyl-1-octanol 556.89
    1-chlorooctane 732.28
    1-chlorotetradecane 238.32
    n-nonane 187.74
    undecane 123.1
    tert-butylcyclohexane 195.45
    cyclooctane 267.62
    cyclopentanol 1689.08
    tetrahydropyran 2934.39
    tert-amyl methyl ether 714.57
    2,5,8-trioxanonane 930.54
    1-hexene 765.26
    2-isopropoxyethanol 433.04
    2,2,2-trifluoroethanol 518.97
    methyl butyrate 1745.73

    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