1-Hexadecanone, 1-phenyl-

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  • Identifiers

    CAS number
    6697-12-7

    Molecular formula
    C22H36O

    SMILES
    CCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.71%
    Fatty 58.56%
    Oily 43.93%
    Balsamic 33.04%
    Sweet 27.01%
    Floral 26.15%
    Dairy 25.58%
    Odorless 25.13%
    Creamy 24.71%
    Milky 23.59%

     

    Flavor
    Waxy 39.9%
    Fatty 32.8%
    Mild 29.9%
    Oily 27.14%
    Herbal 26.26%
    Fat 23.94%
    Balsam 23.56%
    Slightly waxy 22.84%
    Bland 22.54%
    Faint 22.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    7.46 (neutral)

    Molecular weight
    316.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 178.28 ˚C est.

  • Synonyms

    • 6697-12-7
    • 1-Hexadecanone, 1-phenyl-
    • DTXSID50217181
    • RefChem:1055521
    • DTXCID50139672
    • Hexadecanophenone
    • n-Hexadecanophenone
    • 1-phenylhexadecan-1-one
    • Pentadecyl phenyl ketone
    • MFCD00008997
    • 1-Phenyl-1-hexadecanone
    • Palmitophenone
    • NSC167420
    • Hexadecanophenone, 99%
    • 1-phenyl-hexadecan-1-one
    • 1-Phenyl-1-hexadecanone #
    • SCHEMBL963796
    • SCHEMBL9564618
    • SCHEMBL9564620
    • C22H36O
    • IIOLAWJMOGLOIB-UHFFFAOYSA-N
    • AKOS015912979
    • NSC 167420
    • NSC-167420
    • AS-84985
    • SY051774
    • DB-054977
    • H0590
    • D90912
    • 6697-12-7

  • Applications

    1-Hexadecanone, 1-phenyl- (CAS 6697-12-7) is a long-chain aryl ketone used primarily as a fragrance ingredient and fixative in perfumery. In cosmetics and personal care, it is commonly added as a fragrance component and odor fixative to extend aroma. In household and cleaning products, it is used as a fragrance additive or odor carrier in formulations. In coatings and inks, it may serve as a fragrance-bearing component or as a processing solvent to help dissolve aromatic compounds. In polymers and plastics, it can be employed as a fragrance modifier or processing aid to adjust the scent profile of molded or finished products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 477.17
    methanol 340.54
    isopropanol 564.08
    water 0.15
    ethyl acetate 2373.28
    n-propanol 587.08
    acetone 2623.88
    n-butanol 658.05
    acetonitrile 938.29
    DMF 2447.88
    toluene 737.69
    isobutanol 519.64
    1,4-dioxane 1896.61
    methyl acetate 1555.11
    THF 3457.87
    2-butanone 2120.81
    n-pentanol 344.17
    sec-butanol 556.52
    n-hexane 201.93
    ethylene glycol 20.34
    NMP 2655.88
    cyclohexane 971.55
    DMSO 1735.79
    n-butyl acetate 1955.96
    n-octanol 303.1
    chloroform 4542.6
    n-propyl acetate 2068.82
    acetic acid 530.93
    dichloromethane 5576.82
    cyclohexanone 4746.86
    propylene glycol 62.59
    isopropyl acetate 1900.89
    DMAc 2455.65
    2-ethoxyethanol 616.4
    isopentanol 682.2
    n-heptane 183.63
    ethyl formate 1068.59
    1,2-dichloroethane 4353.45
    n-hexanol 334.3
    2-methoxyethanol 796.8
    isobutyl acetate 1193.65
    tetrachloromethane 1144.77
    n-pentyl acetate 1917.72
    transcutol 2592.32
    n-heptanol 297.49
    ethylbenzene 449.1
    MIBK 1418.63
    2-propoxyethanol 635.89
    tert-butanol 733.56
    MTBE 1366.02
    2-butoxyethanol 711.28
    propionic acid 672.53
    o-xylene 549.84
    formic acid 71.54
    diethyl ether 1632.16
    m-xylene 494.75
    p-xylene 693.84
    chlorobenzene 1493.96
    dimethyl carbonate 543.14
    n-octane 78.95
    formamide 245.56
    cyclopentanone 4147.78
    2-pentanone 2207.53
    anisole 964.64
    cyclopentyl methyl ether 1967.42
    gamma-butyrolactone 3637.99
    1-methoxy-2-propanol 767.37
    pyridine 2284.06
    3-pentanone 1779.65
    furfural 2011.78
    n-dodecane 37.6
    diethylene glycol 208.75
    diisopropyl ether 573.32
    tert-amyl alcohol 648.16
    acetylacetone 2355.13
    n-hexadecane 47.9
    acetophenone 1113.03
    methyl propionate 1502.17
    isopentyl acetate 1644.03
    trichloroethylene 5885.42
    n-nonanol 295.81
    cyclohexanol 1137.56
    benzyl alcohol 484.16
    2-ethylhexanol 382.85
    isooctanol 324.39
    dipropyl ether 1210.48
    1,2-dichlorobenzene 1618.58
    ethyl lactate 461.12
    propylene carbonate 2033.14
    n-methylformamide 853.79
    2-pentanol 529.01
    n-pentane 159.34
    1-propoxy-2-propanol 743.03
    1-methoxy-2-propyl acetate 1328.84
    2-(2-methoxypropoxy) propanol 472.18
    mesitylene 374.98
    ε-caprolactone 3282.59
    p-cymene 315.77
    epichlorohydrin 3674.0
    1,1,1-trichloroethane 4060.0
    2-aminoethanol 100.32
    morpholine-4-carbaldehyde 1970.6
    sulfolane 3821.75
    2,2,4-trimethylpentane 98.72
    2-methyltetrahydrofuran 2731.18
    n-hexyl acetate 1523.71
    isooctane 64.56
    2-(2-butoxyethoxy)ethanol 738.79
    sec-butyl acetate 1381.18
    tert-butyl acetate 1887.31
    decalin 209.1
    glycerin 85.95
    diglyme 2071.49
    acrylic acid 415.73
    isopropyl myristate 461.56
    n-butyric acid 1583.43
    acetyl acetate 1327.6
    di(2-ethylhexyl) phthalate 285.58
    ethyl propionate 1723.67
    nitromethane 1777.52
    1,2-diethoxyethane 1818.54
    benzonitrile 926.35
    trioctyl phosphate 236.68
    1-bromopropane 2301.95
    gamma-valerolactone 4148.33
    n-decanol 182.79
    triethyl phosphate 562.68
    4-methyl-2-pentanol 334.96
    propionitrile 1054.54
    vinylene carbonate 1587.4
    1,1,2-trichlorotrifluoroethane 1620.03
    DMS 966.22
    cumene 296.44
    2-octanol 304.87
    2-hexanone 1503.7
    octyl acetate 545.25
    limonene 616.4
    1,2-dimethoxyethane 2031.39
    ethyl orthosilicate 567.47
    tributyl phosphate 350.2
    diacetone alcohol 1154.98
    N,N-dimethylaniline 575.56
    acrylonitrile 963.39
    aniline 718.78
    1,3-propanediol 277.88
    bromobenzene 1697.83
    dibromomethane 3417.4
    1,1,2,2-tetrachloroethane 5063.52
    2-methyl-cyclohexyl acetate 963.52
    tetrabutyl urea 519.5
    diisobutyl methanol 297.97
    2-phenylethanol 420.07
    styrene 604.47
    dioctyl adipate 667.12
    dimethyl sulfate 900.94
    ethyl butyrate 1768.79
    methyl lactate 396.07
    butyl lactate 856.29
    diethyl carbonate 911.82
    propanediol butyl ether 441.85
    triethyl orthoformate 1093.4
    p-tert-butyltoluene 280.64
    methyl 4-tert-butylbenzoate 876.73
    morpholine 2422.18
    tert-butylamine 513.6
    n-dodecanol 132.0
    dimethoxymethane 1414.79
    ethylene carbonate 1709.79
    cyrene 520.46
    2-ethoxyethyl acetate 1735.79
    2-ethylhexyl acetate 1367.47
    1,2,4-trichlorobenzene 1669.88
    4-methylpyridine 2131.58
    dibutyl ether 1127.85
    2,6-dimethyl-4-heptanol 297.97
    DEF 2575.7
    dimethyl isosorbide 1165.88
    tetrachloroethylene 3183.27
    eugenol 600.64
    triacetin 1167.66
    span 80 475.51
    1,4-butanediol 97.68
    1,1-dichloroethane 3729.51
    2-methyl-1-pentanol 386.21
    methyl formate 612.35
    2-methyl-1-butanol 610.34
    n-decane 92.05
    butyronitrile 1320.06
    3,7-dimethyl-1-octanol 335.87
    1-chlorooctane 479.84
    1-chlorotetradecane 130.48
    n-nonane 95.68
    undecane 53.7
    tert-butylcyclohexane 150.91
    cyclooctane 201.04
    cyclopentanol 985.45
    tetrahydropyran 3279.27
    tert-amyl methyl ether 1028.7
    2,5,8-trioxanonane 978.2
    1-hexene 545.03
    2-isopropoxyethanol 548.49
    2,2,2-trifluoroethanol 277.61
    methyl butyrate 2480.92

    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