1-(4-Cyclohexylphenyl)ethan-1-one

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  • Identifiers

    CAS number
    18594-05-3

    Molecular formula
    C14H18O

    SMILES
    CC(=O)C1=CC=C(C=C1)C2CCCCC2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 87.2%
    Sweet 50.05%
    Powdery 42.57%
    Balsamic 41.54%
    Neroli 37.42%
    Musk 36.37%
    Animal 35.04%
    Woody 34.6%
    Herbal 33.56%
    Anisic 32.98%

     

    Flavor
    Sweet 63.47%
    Balsam 39.44%
    Floral 36.39%
    Powdery 34.76%
    Herbal 30.87%
    Spicy 30.48%
    Woody 30.17%
    Fruity 29.54%
    Cherry 29.54%
    Balsamic 28.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.37 (weak base)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point

    • 134.06 ˚C est.

  • Synonyms

    • 18594-05-3
    • 1-(4-Cyclohexylphenyl)ethanone
    • 1-(4-Cyclohexylphenyl)ethan-1-one
    • Ethanone, 1-(4-cyclohexylphenyl)-
    • EINECS 242-432-4
    • MSDQNIRGPBARGC-UHFFFAOYSA-
    • DTXSID70171817
    • RefChem:425367
    • DTXCID6094308
    • 242-432-4
    • InChI=1/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
    • 4'-Cyclohexylacetophenone
    • 4-Cyclohexylacetophenone
    • MFCD00001453
    • 1-acetyl-4-cyclohexylbenzene
    • 1-(4-cyclohexylphenyl)-ethanone
    • 1-(4-cyclohexyl-phenyl)-ethanone
    • p-cyclohexylacetophenone
    • 4-cyclohexylace-tophenone
    • 4'-cyclohexyl actephenone
    • 4'-cyclohexyl acetophenone
    • 4'-cyclohexyl-acetophenone
    • para-cyclohexyl-acetophenone
    • SCHEMBL967133
    • p-cyclohexylphenyl methyl ketone
    • SCHEMBL1531069
    • 4'-Cyclohexylacetophenone, 99%
    • 1-(4-Cyclohexylphenyl)ethanone #
    • ALBB-020867
    • STR04122
    • SBB056546
    • STL138370
    • AKOS000119331
    • CCG-301834
    • FC70867
    • UPCMLD0ENAT5883753:001
    • SY049494
    • DB-028850
    • NS00026086
    • ST50307656
    • EN300-20139
    • D87930
    • F0001-0670
    • Z104477036
    • 18594-05-3

  • Applications

    1-(4-Cyclohexylphenyl)ethan-1-one (CAS 18594-05-3) is primarily used as an intermediate and fragrance ingredient in perfumery, functioning as an odorant and, where appropriate, as a fixative in fragrance formulas and cosmetic products. It is also employed as a fragrance component in personal care items and everyday cleaning products. In industrial manufacturing, it serves as a building block for the synthesis of fragrance-related compounds and other specialty organics. In the polymers, coatings, and inks arena, it can function as a precursor or component in formulations that incorporate fragrance motifs or aroma-related additives. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 630.01
    methanol 720.73
    isopropanol 439.42
    water 0.08
    ethyl acetate 2531.51
    n-propanol 684.37
    acetone 3176.15
    n-butanol 519.73
    acetonitrile 1775.62
    DMF 3670.48
    toluene 1423.21
    isobutanol 404.02
    1,4-dioxane 3317.55
    methyl acetate 2114.77
    THF 2761.39
    2-butanone 2469.13
    n-pentanol 343.04
    sec-butanol 364.33
    n-hexane 120.51
    ethylene glycol 116.66
    NMP 1832.89
    cyclohexane 175.99
    DMSO 3054.89
    n-butyl acetate 1140.71
    n-octanol 91.89
    chloroform 4980.55
    n-propyl acetate 1030.15
    acetic acid 590.79
    dichloromethane 5359.1
    cyclohexanone 2569.07
    propylene glycol 174.51
    isopropyl acetate 1294.84
    DMAc 2232.62
    2-ethoxyethanol 808.67
    isopentanol 493.15
    n-heptane 26.39
    ethyl formate 711.75
    1,2-dichloroethane 5146.59
    n-hexanol 337.25
    2-methoxyethanol 1422.61
    isobutyl acetate 589.38
    tetrachloromethane 490.08
    n-pentyl acetate 478.41
    transcutol 6700.89
    n-heptanol 114.71
    ethylbenzene 454.0
    MIBK 906.92
    2-propoxyethanol 976.73
    tert-butanol 627.18
    MTBE 1627.27
    2-butoxyethanol 380.46
    propionic acid 702.95
    o-xylene 535.45
    formic acid 168.42
    diethyl ether 2558.41
    m-xylene 607.74
    p-xylene 476.29
    chlorobenzene 1653.32
    dimethyl carbonate 825.4
    n-octane 9.79
    formamide 560.71
    cyclopentanone 2902.24
    2-pentanone 1814.21
    anisole 1217.68
    cyclopentyl methyl ether 1660.81
    gamma-butyrolactone 2663.34
    1-methoxy-2-propanol 1009.86
    pyridine 2883.44
    3-pentanone 1852.47
    furfural 1924.33
    n-dodecane 7.08
    diethylene glycol 611.99
    diisopropyl ether 497.2
    tert-amyl alcohol 475.68
    acetylacetone 2167.3
    n-hexadecane 9.22
    acetophenone 815.44
    methyl propionate 2014.18
    isopentyl acetate 998.62
    trichloroethylene 6882.11
    n-nonanol 93.18
    cyclohexanol 515.73
    benzyl alcohol 595.82
    2-ethylhexanol 229.23
    isooctanol 114.58
    dipropyl ether 560.89
    1,2-dichlorobenzene 1338.25
    ethyl lactate 291.57
    propylene carbonate 1137.68
    n-methylformamide 1414.43
    2-pentanol 339.05
    n-pentane 69.4
    1-propoxy-2-propanol 669.48
    1-methoxy-2-propyl acetate 1284.41
    2-(2-methoxypropoxy) propanol 583.11
    mesitylene 349.82
    ε-caprolactone 1811.03
    p-cymene 158.64
    epichlorohydrin 4194.86
    1,1,1-trichloroethane 2859.7
    2-aminoethanol 308.12
    morpholine-4-carbaldehyde 2283.55
    sulfolane 2878.29
    2,2,4-trimethylpentane 40.42
    2-methyltetrahydrofuran 2139.82
    n-hexyl acetate 603.0
    isooctane 37.45
    2-(2-butoxyethoxy)ethanol 928.09
    sec-butyl acetate 681.45
    tert-butyl acetate 1356.42
    decalin 91.37
    glycerin 267.81
    diglyme 2044.26
    acrylic acid 563.94
    isopropyl myristate 214.21
    n-butyric acid 929.02
    acetyl acetate 1086.44
    di(2-ethylhexyl) phthalate 186.46
    ethyl propionate 1031.66
    nitromethane 2413.07
    1,2-diethoxyethane 2122.38
    benzonitrile 974.61
    trioctyl phosphate 113.41
    1-bromopropane 1969.42
    gamma-valerolactone 3190.0
    n-decanol 68.66
    triethyl phosphate 284.01
    4-methyl-2-pentanol 224.37
    propionitrile 1313.01
    vinylene carbonate 1038.6
    1,1,2-trichlorotrifluoroethane 1766.66
    DMS 913.93
    cumene 232.94
    2-octanol 76.4
    2-hexanone 1020.83
    octyl acetate 242.45
    limonene 235.62
    1,2-dimethoxyethane 1852.95
    ethyl orthosilicate 277.46
    tributyl phosphate 208.56
    diacetone alcohol 944.8
    N,N-dimethylaniline 548.41
    acrylonitrile 1703.01
    aniline 1297.11
    1,3-propanediol 465.6
    bromobenzene 1951.72
    dibromomethane 3326.9
    1,1,2,2-tetrachloroethane 5548.2
    2-methyl-cyclohexyl acetate 428.53
    tetrabutyl urea 236.4
    diisobutyl methanol 150.99
    2-phenylethanol 471.35
    styrene 779.38
    dioctyl adipate 347.13
    dimethyl sulfate 1113.5
    ethyl butyrate 679.23
    methyl lactate 475.34
    butyl lactate 341.28
    diethyl carbonate 464.57
    propanediol butyl ether 345.69
    triethyl orthoformate 453.76
    p-tert-butyltoluene 163.08
    methyl 4-tert-butylbenzoate 455.45
    morpholine 3473.76
    tert-butylamine 412.61
    n-dodecanol 53.19
    dimethoxymethane 2355.79
    ethylene carbonate 939.8
    cyrene 428.48
    2-ethoxyethyl acetate 1067.37
    2-ethylhexyl acetate 774.82
    1,2,4-trichlorobenzene 1586.95
    4-methylpyridine 2576.42
    dibutyl ether 436.5
    2,6-dimethyl-4-heptanol 150.99
    DEF 2429.38
    dimethyl isosorbide 1044.08
    tetrachloroethylene 3005.27
    eugenol 433.15
    triacetin 658.42
    span 80 371.41
    1,4-butanediol 149.09
    1,1-dichloroethane 3443.35
    2-methyl-1-pentanol 361.44
    methyl formate 858.78
    2-methyl-1-butanol 422.83
    n-decane 12.87
    butyronitrile 929.07
    3,7-dimethyl-1-octanol 173.16
    1-chlorooctane 115.1
    1-chlorotetradecane 42.45
    n-nonane 12.42
    undecane 9.07
    tert-butylcyclohexane 77.88
    cyclooctane 49.67
    cyclopentanol 484.48
    tetrahydropyran 2786.01
    tert-amyl methyl ether 898.44
    2,5,8-trioxanonane 1137.53
    1-hexene 481.63
    2-isopropoxyethanol 554.15
    2,2,2-trifluoroethanol 227.65
    methyl butyrate 1191.55

    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