Cyclohexyl phenyl ketone

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  • Identifiers

    CAS number
    712-50-5

    Molecular formula
    C13H16O

    SMILES
    C1CCC(CC1)C(=O)C2=CC=CC=C2

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 66.37%
    Herbal 52.35%
    Floral 52.21%
    Green 52.14%
    Balsamic 48.99%
    Sweet 30.5%
    Mint 29.89%
    Jasmin 29.45%
    Fresh 28.47%
    Woody 27.35%

     

    Flavor
    Balsam 45.2%
    Sweet 27.8%
    Rose 27.11%
    Animal 26.95%
    Balsamic 25.36%
    Herbal 24.74%
    Bitter 24.72%
    Honey 23.75%
    Powdery 23.71%
    Valerian 23.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.15 (neutral)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    292°C

    Flash point

    • 122.53 ˚C est.

  • Synonyms

    • Cyclohexyl phenyl ketone
    • 712-50-5
    • Cyclohexylphenylketone
    • Methanone, cyclohexylphenyl-
    • DTXSID5048182
    • NSC-818
    • 0NU53987V8
    • DTXCID1028156
    • RefChem:580880
    • 211-923-5
    • Cyclohexyl(phenyl)methanone
    • Benzoylcyclohexane
    • Phenyl cyclohexyl ketone
    • Benzoyl cyclohexane
    • Cyclohexyl-phenyl-methanone
    • USAF KF-3
    • Cyclohexylphenyl ketone
    • MFCD00001467
    • KETONE, CYCLOHEXYL PHENYL
    • Benzophenone, 1,2,3,4,5,6-hexahydro-
    • Cyclohexylphenylmethanone;Benzoyl cyclohexane
    • NSC 818
    • cyclohexylphenylmethanone
    • EINECS 211-923-5
    • BRN 2046712
    • AI3-11009
    • UNII-0NU53987V8
    • cyclohexyl-phenylmethanone
    • WLN: L6TJ AVR
    • EC 211-923-5
    • cyclohexyl(phenyl);methanone
    • SCHEMBL33443
    • 4-07-00-01062 (Beilstein Handbook Reference)
    • Cyclohexyl(phenyl)methanone #
    • SCHEMBL696131
    • Cyclohexyl phenyl ketone, 98%
    • NSC818
    • orb1306612
    • SCHEMBL5218499
    • SCHEMBL5609060
    • SCHEMBL8788701
    • SCHEMBL9843793
    • CHEMBL3188506
    • BMFYCFSWWDXEPB-UHFFFAOYSA-
    • BB_SC-09928
    • Tox21_303653
    • BBL027342
    • SBB007832
    • STL373582
    • AKOS000120281
    • Benzophenone,2,3,4,5,6-hexahydro-
    • CS-W016783
    • HY-W016067
    • NCGC00249618-01
    • NCGC00257313-01
    • AC-10377
    • CAS-712-50-5
    • SY049423
    • NS00005448
    • ST50406627
    • EN300-20320
    • C24352
    • F204152
    • Q27237012
    • Z104477736
    • InChI=1/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
    • 712-50-5

  • Applications

    Cyclohexyl phenyl ketone (CAS 712-50-5) is used as a fragrance-related ingredient, serving as an aroma compound and potential fixative in perfumery and cosmetics formulations; it may also function as a processing solvent or synthetic intermediate in industrial manufacturing, coatings and inks, and as a building block in organic synthesis for pharmaceutical and other specialty chemicals; in household products, it can act as a fragrance component in cleaners and detergents; in polymer and plastics processing, it may be employed as a processing aid or precursor for fragrance-containing formulations; use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 754.05
    methanol 602.55
    isopropanol 731.14
    water 1.22
    ethyl acetate 1314.73
    n-propanol 791.97
    acetone 2165.95
    n-butanol 821.34
    acetonitrile 1903.89
    DMF 3243.9
    toluene 708.16
    isobutanol 723.08
    1,4-dioxane 1692.17
    methyl acetate 1279.18
    THF 1691.29
    2-butanone 1726.77
    n-pentanol 442.28
    sec-butanol 560.5
    n-hexane 108.86
    ethylene glycol 102.07
    NMP 1593.13
    cyclohexane 223.57
    DMSO 1093.56
    n-butyl acetate 1078.06
    n-octanol 385.13
    chloroform 5734.36
    n-propyl acetate 923.58
    acetic acid 870.38
    dichloromethane 5098.16
    cyclohexanone 2752.37
    propylene glycol 149.14
    isopropyl acetate 752.53
    DMAc 1736.21
    2-ethoxyethanol 495.7
    isopentanol 696.93
    n-heptane 71.65
    ethyl formate 1300.25
    1,2-dichloroethane 3375.29
    n-hexanol 526.79
    2-methoxyethanol 927.78
    isobutyl acetate 541.26
    tetrachloromethane 496.63
    n-pentyl acetate 690.52
    transcutol 2237.52
    n-heptanol 333.54
    ethylbenzene 453.44
    MIBK 702.47
    2-propoxyethanol 655.45
    tert-butanol 604.44
    MTBE 614.22
    2-butoxyethanol 530.88
    propionic acid 837.99
    o-xylene 407.64
    formic acid 183.37
    diethyl ether 880.78
    m-xylene 408.34
    p-xylene 557.56
    chlorobenzene 1914.25
    dimethyl carbonate 538.35
    n-octane 50.65
    formamide 540.87
    cyclopentanone 2560.75
    2-pentanone 1338.38
    anisole 852.81
    cyclopentyl methyl ether 794.71
    gamma-butyrolactone 2491.7
    1-methoxy-2-propanol 697.76
    pyridine 3028.64
    3-pentanone 1011.5
    furfural 2302.77
    n-dodecane 38.91
    diethylene glycol 361.19
    diisopropyl ether 233.24
    tert-amyl alcohol 458.65
    acetylacetone 1228.94
    n-hexadecane 46.21
    acetophenone 845.05
    methyl propionate 1018.55
    isopentyl acetate 820.25
    trichloroethylene 6581.58
    n-nonanol 315.36
    cyclohexanol 735.07
    benzyl alcohol 606.8
    2-ethylhexanol 350.61
    isooctanol 292.03
    dipropyl ether 435.67
    1,2-dichlorobenzene 1460.29
    ethyl lactate 325.69
    propylene carbonate 1564.68
    n-methylformamide 1465.33
    2-pentanol 487.68
    n-pentane 86.39
    1-propoxy-2-propanol 549.31
    1-methoxy-2-propyl acetate 626.63
    2-(2-methoxypropoxy) propanol 394.38
    mesitylene 267.57
    ε-caprolactone 1823.47
    p-cymene 212.94
    epichlorohydrin 2827.23
    1,1,1-trichloroethane 2434.73
    2-aminoethanol 263.36
    morpholine-4-carbaldehyde 1439.73
    sulfolane 1858.18
    2,2,4-trimethylpentane 41.99
    2-methyltetrahydrofuran 1239.02
    n-hexyl acetate 905.37
    isooctane 38.5
    2-(2-butoxyethoxy)ethanol 604.12
    sec-butyl acetate 519.74
    tert-butyl acetate 596.38
    decalin 102.49
    glycerin 196.15
    diglyme 1346.3
    acrylic acid 774.45
    isopropyl myristate 306.39
    n-butyric acid 1420.47
    acetyl acetate 731.8
    di(2-ethylhexyl) phthalate 215.69
    ethyl propionate 727.96
    nitromethane 2175.77
    1,2-diethoxyethane 889.52
    benzonitrile 1525.96
    trioctyl phosphate 177.38
    1-bromopropane 1432.17
    gamma-valerolactone 2573.92
    n-decanol 224.32
    triethyl phosphate 253.77
    4-methyl-2-pentanol 273.36
    propionitrile 1588.53
    vinylene carbonate 1660.3
    1,1,2-trichlorotrifluoroethane 1313.9
    DMS 623.46
    cumene 273.92
    2-octanol 259.28
    2-hexanone 936.92
    octyl acetate 392.66
    limonene 283.16
    1,2-dimethoxyethane 1275.48
    ethyl orthosilicate 226.02
    tributyl phosphate 234.91
    diacetone alcohol 570.71
    N,N-dimethylaniline 448.08
    acrylonitrile 2177.09
    aniline 917.85
    1,3-propanediol 514.58
    bromobenzene 1897.53
    dibromomethane 3083.5
    1,1,2,2-tetrachloroethane 4424.11
    2-methyl-cyclohexyl acetate 408.34
    tetrabutyl urea 326.53
    diisobutyl methanol 200.4
    2-phenylethanol 487.73
    styrene 708.27
    dioctyl adipate 401.79
    dimethyl sulfate 638.66
    ethyl butyrate 709.75
    methyl lactate 384.08
    butyl lactate 449.91
    diethyl carbonate 502.51
    propanediol butyl ether 453.84
    triethyl orthoformate 412.43
    p-tert-butyltoluene 182.32
    methyl 4-tert-butylbenzoate 502.37
    morpholine 1833.21
    tert-butylamine 391.19
    n-dodecanol 164.44
    dimethoxymethane 1070.47
    ethylene carbonate 1391.17
    cyrene 360.47
    2-ethoxyethyl acetate 727.16
    2-ethylhexyl acetate 606.2
    1,2,4-trichlorobenzene 1463.73
    4-methylpyridine 2460.49
    dibutyl ether 566.44
    2,6-dimethyl-4-heptanol 200.4
    DEF 1577.64
    dimethyl isosorbide 681.34
    tetrachloroethylene 2616.19
    eugenol 461.84
    triacetin 620.57
    span 80 366.56
    1,4-butanediol 181.57
    1,1-dichloroethane 3156.01
    2-methyl-1-pentanol 397.35
    methyl formate 1181.97
    2-methyl-1-butanol 622.15
    n-decane 70.62
    butyronitrile 1763.21
    3,7-dimethyl-1-octanol 324.77
    1-chlorooctane 364.37
    1-chlorotetradecane 119.08
    n-nonane 72.23
    undecane 50.31
    tert-butylcyclohexane 83.09
    cyclooctane 66.37
    cyclopentanol 779.72
    tetrahydropyran 1773.26
    tert-amyl methyl ether 375.24
    2,5,8-trioxanonane 715.24
    1-hexene 429.12
    2-isopropoxyethanol 344.85
    2,2,2-trifluoroethanol 361.08
    methyl butyrate 1248.0

    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