Hexanophenone

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  • Identifiers

    CAS number
    942-92-7

    Molecular formula
    C12H16O

    SMILES
    CCCCCC(=O)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 61.56%
    Balsamic 52.03%
    Fruity 48.41%
    Floral 44.39%
    Sweet 42.45%
    Green 41.61%
    Earthy 34.42%
    Spicy 33.72%
    Jasmin 31.83%
    Musty 30.29%

     

    Flavor
    Balsam 45.53%
    Herbal 44.3%
    Fresh 27.87%
    Spicy 26.53%
    Valerian 24.48%
    Jasmin 23.84%
    Oily 23.27%
    Woody 23.22%
    Green 22.94%
    Sweet 22.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.38 (neutral)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 110.7 ˚C est.

  • Synonyms

    • Hexanophenone
    • 942-92-7
    • Caprophenone
    • 1-phenylhexan-1-one
    • 1-Phenyl-1-hexanone
    • 1-Hexanone, 1-phenyl-
    • Amyl phenyl ketone
    • n-Hexanophenone
    • Pentyl phenyl ketone
    • Hexaphenone
    • MFCD00009512
    • n-Amylphenyl ketone
    • 1-phenyl-hexan-1-one
    • NSC 8480
    • EINECS 213-394-6
    • AI3-01378
    • DTXSID4061335
    • 1-Benzoylpentane
    • NSC8480
    • Hexanophenone, 99%
    • n-Pentyl phenyl ketone
    • Hexanophenone, >=99%
    • SCHEMBL50000
    • DTXCID0048925
    • NSC-8480
    • AKOS000121447
    • AS-56450
    • SY048592
    • DB-057484
    • CS-0152336
    • H0116
    • NS00040378
    • EN300-21120
    • F21443
    • Q63409590
    • 213-394-6

  • Applications

    Hexanophenone (CAS 942-92-7) is a fragrant aryl ketone primarily used as a fragrance intermediate and precursor in perfumery and cosmetics, providing a distinct ketone note in formulations. It also serves as a specialty solvent or solvent component for coatings, inks, and adhesive formulations, and is considered a synthetic precursor for aryl ketone derivatives and polymeric materials. Additionally, hexanophenone may act as a starting material for aroma-related compounds and other organic syntheses, and may be evaluated for industrial cleaning formulations depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5340.32
    methanol 5987.02
    isopropanol 3566.33
    water 0.49
    ethyl acetate 7179.0
    n-propanol 3930.74
    acetone 10596.31
    n-butanol 3612.23
    acetonitrile 9970.47
    DMF 9522.73
    toluene 1963.49
    isobutanol 2875.74
    1,4-dioxane 5631.49
    methyl acetate 4576.26
    THF 4331.3
    2-butanone 5634.67
    n-pentanol 1848.05
    sec-butanol 2339.08
    n-hexane 462.06
    ethylene glycol 495.8
    NMP 3720.65
    cyclohexane 732.85
    DMSO 5835.39
    n-butyl acetate 4569.84
    n-octanol 725.9
    chloroform 10067.28
    n-propyl acetate 3147.69
    acetic acid 3634.72
    dichloromethane 11004.41
    cyclohexanone 7071.65
    propylene glycol 678.59
    isopropyl acetate 3368.97
    DMAc 4158.32
    2-ethoxyethanol 1972.65
    isopentanol 2875.53
    n-heptane 194.03
    ethyl formate 3241.12
    1,2-dichloroethane 8933.29
    n-hexanol 2418.05
    2-methoxyethanol 4307.06
    isobutyl acetate 1646.27
    tetrachloromethane 962.13
    n-pentyl acetate 1563.54
    transcutol 8847.15
    n-heptanol 696.04
    ethylbenzene 989.0
    MIBK 2101.33
    2-propoxyethanol 3011.45
    tert-butanol 3218.5
    MTBE 3589.16
    2-butoxyethanol 1266.7
    propionic acid 2753.95
    o-xylene 772.68
    formic acid 702.53
    diethyl ether 6287.09
    m-xylene 952.14
    p-xylene 1078.46
    chlorobenzene 3333.56
    dimethyl carbonate 1302.88
    n-octane 82.65
    formamide 1766.56
    cyclopentanone 5397.47
    2-pentanone 5097.49
    anisole 2095.55
    cyclopentyl methyl ether 2523.81
    gamma-butyrolactone 5041.22
    1-methoxy-2-propanol 2879.85
    pyridine 6659.28
    3-pentanone 3260.86
    furfural 3882.28
    n-dodecane 65.17
    diethylene glycol 1476.42
    diisopropyl ether 1081.51
    tert-amyl alcohol 2141.89
    acetylacetone 4215.34
    n-hexadecane 79.01
    acetophenone 1698.5
    methyl propionate 3890.2
    isopentyl acetate 3117.32
    trichloroethylene 13081.77
    n-nonanol 612.45
    cyclohexanol 2475.55
    benzyl alcohol 1346.9
    2-ethylhexanol 1211.78
    isooctanol 564.35
    dipropyl ether 1899.99
    1,2-dichlorobenzene 2478.66
    ethyl lactate 747.16
    propylene carbonate 2859.03
    n-methylformamide 3982.7
    2-pentanol 2068.27
    n-pentane 335.06
    1-propoxy-2-propanol 2092.61
    1-methoxy-2-propyl acetate 2328.05
    2-(2-methoxypropoxy) propanol 1018.67
    mesitylene 525.86
    ε-caprolactone 4692.06
    p-cymene 390.52
    epichlorohydrin 6607.2
    1,1,1-trichloroethane 5802.48
    2-aminoethanol 1302.14
    morpholine-4-carbaldehyde 3669.93
    sulfolane 4020.62
    2,2,4-trimethylpentane 118.38
    2-methyltetrahydrofuran 3615.21
    n-hexyl acetate 2037.19
    isooctane 111.79
    2-(2-butoxyethoxy)ethanol 1631.22
    sec-butyl acetate 1684.03
    tert-butyl acetate 2389.05
    decalin 264.0
    glycerin 745.13
    diglyme 3467.68
    acrylic acid 2038.17
    isopropyl myristate 630.31
    n-butyric acid 5342.81
    acetyl acetate 2812.27
    di(2-ethylhexyl) phthalate 436.5
    ethyl propionate 2461.72
    nitromethane 7755.23
    1,2-diethoxyethane 3905.9
    benzonitrile 2711.35
    trioctyl phosphate 342.35
    1-bromopropane 4578.96
    gamma-valerolactone 5958.15
    n-decanol 425.95
    triethyl phosphate 526.2
    4-methyl-2-pentanol 895.06
    propionitrile 5284.43
    vinylene carbonate 2815.45
    1,1,2-trichlorotrifluoroethane 3018.63
    DMS 1602.66
    cumene 501.62
    2-octanol 476.01
    2-hexanone 3078.2
    octyl acetate 788.44
    limonene 699.42
    1,2-dimethoxyethane 4585.4
    ethyl orthosilicate 516.43
    tributyl phosphate 504.66
    diacetone alcohol 1852.27
    N,N-dimethylaniline 978.06
    acrylonitrile 5965.32
    aniline 2354.96
    1,3-propanediol 2144.24
    bromobenzene 3599.5
    dibromomethane 6951.29
    1,1,2,2-tetrachloroethane 9188.75
    2-methyl-cyclohexyl acetate 970.21
    tetrabutyl urea 654.96
    diisobutyl methanol 571.36
    2-phenylethanol 1357.38
    styrene 1750.06
    dioctyl adipate 796.2
    dimethyl sulfate 1467.73
    ethyl butyrate 2216.49
    methyl lactate 1000.32
    butyl lactate 983.24
    diethyl carbonate 1225.31
    propanediol butyl ether 1036.61
    triethyl orthoformate 1059.82
    p-tert-butyltoluene 358.26
    methyl 4-tert-butylbenzoate 854.13
    morpholine 6583.87
    tert-butylamine 2095.93
    n-dodecanol 313.9
    dimethoxymethane 4168.47
    ethylene carbonate 2583.6
    cyrene 672.68
    2-ethoxyethyl acetate 2040.85
    2-ethylhexyl acetate 2128.11
    1,2,4-trichlorobenzene 2423.25
    4-methylpyridine 6316.53
    dibutyl ether 1631.97
    2,6-dimethyl-4-heptanol 571.36
    DEF 5721.91
    dimethyl isosorbide 1507.95
    tetrachloroethylene 5441.6
    eugenol 913.22
    triacetin 1305.86
    span 80 869.07
    1,4-butanediol 640.47
    1,1-dichloroethane 8380.86
    2-methyl-1-pentanol 1564.16
    methyl formate 2713.77
    2-methyl-1-butanol 2520.79
    n-decane 115.34
    butyronitrile 5749.6
    3,7-dimethyl-1-octanol 776.3
    1-chlorooctane 650.53
    1-chlorotetradecane 215.52
    n-nonane 116.35
    undecane 82.82
    tert-butylcyclohexane 215.63
    cyclooctane 154.1
    cyclopentanol 1832.58
    tetrahydropyran 6469.85
    tert-amyl methyl ether 1816.14
    2,5,8-trioxanonane 1843.89
    1-hexene 2096.92
    2-isopropoxyethanol 1355.22
    2,2,2-trifluoroethanol 842.55
    methyl butyrate 3712.89

    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