5-Hexadecanone

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  • Identifiers

    CAS number
    41903-81-5

    Molecular formula
    C16H32O

    SMILES
    CCCCCCCCCCCC(=O)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 62.73%
    Waxy 57.95%
    Oily 49.46%
    Fruity 44.32%
    Dairy 38.1%
    Floral 37.94%
    Citrus 32.96%
    Milky 32.67%
    Creamy 32.65%
    Coconut 31.89%

     

    Flavor
    Fatty 50.38%
    Waxy 49.82%
    Fat 38.17%
    Herbal 35.39%
    Floral 35.07%
    Oily 34.92%
    Fresh 34.71%
    Soapy 32.6%
    Coconut 32.5%
    Fruity 31.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.68 (neutral)

    Molecular weight
    240.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 128.31 ˚C est.

  • Synonyms

    • 5-Hexadecanone
    • Hexadecan-5-one
    • 41903-81-5
    • n-Butyl n-undecyl ketone
    • EINECS 255-583-6
    • NSC158531
    • 5-Hexadecanone, AldrichCPR
    • SCHEMBL3397128
    • CHEMBL3273571
    • DTXSID40194674
    • NSC 158531
    • NSC-158531
    • CS-0452403
    • NS00056676
    • 41903-81-5

  • Applications

    5-Hexadecanone (CAS 41903-81-5) is a long-chain ketone primarily used as a fragrance ingredient and fixative in the perfumery and cosmetics industry, helping to prolong and stabilize aroma in products; it is also used as a solvent and processing aid for resins, paints, and coating systems in industrial manufacturing; it functions as an intermediate in the synthesis of fragrance-related compounds and esters for fragrance applications and other specialty chemicals; in addition, some potential uses may be explored as a solvent or processing aid in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1898.97
    methanol 1086.8
    isopropanol 2804.22
    water 0.02
    ethyl acetate 5257.19
    n-propanol 2392.17
    acetone 5188.96
    n-butanol 2693.33
    acetonitrile 1992.71
    DMF 3197.93
    toluene 1854.62
    isobutanol 2307.24
    1,4-dioxane 4524.91
    methyl acetate 2884.82
    THF 7367.62
    2-butanone 4873.62
    n-pentanol 1747.48
    sec-butanol 2712.74
    n-hexane 2133.21
    ethylene glycol 57.56
    NMP 3027.54
    cyclohexane 3872.8
    DMSO 2838.19
    n-butyl acetate 5950.04
    n-octanol 1228.2
    chloroform 7109.87
    n-propyl acetate 4920.2
    acetic acid 1018.39
    dichloromethane 6647.85
    cyclohexanone 8711.18
    propylene glycol 215.11
    isopropyl acetate 4310.93
    DMAc 2685.06
    2-ethoxyethanol 1674.97
    isopentanol 2872.32
    n-heptane 1480.94
    ethyl formate 1974.28
    1,2-dichloroethane 5310.16
    n-hexanol 2094.97
    2-methoxyethanol 2209.49
    isobutyl acetate 2818.55
    tetrachloromethane 1713.75
    n-pentyl acetate 4001.38
    transcutol 6873.37
    n-heptanol 1157.55
    ethylbenzene 1338.67
    MIBK 3419.17
    2-propoxyethanol 2426.69
    tert-butanol 3653.04
    MTBE 5552.76
    2-butoxyethanol 1896.54
    propionic acid 1422.95
    o-xylene 1273.57
    formic acid 97.58
    diethyl ether 6206.64
    m-xylene 1265.37
    p-xylene 1817.25
    chlorobenzene 2536.72
    dimethyl carbonate 539.85
    n-octane 443.62
    formamide 216.37
    cyclopentanone 6167.06
    2-pentanone 5411.83
    anisole 1900.4
    cyclopentyl methyl ether 4870.69
    gamma-butyrolactone 4629.12
    1-methoxy-2-propanol 2387.82
    pyridine 4718.99
    3-pentanone 3439.6
    furfural 3086.06
    n-dodecane 185.24
    diethylene glycol 663.13
    diisopropyl ether 2156.69
    tert-amyl alcohol 3042.25
    acetylacetone 3882.38
    n-hexadecane 233.31
    acetophenone 1856.95
    methyl propionate 2637.79
    isopentyl acetate 5056.1
    trichloroethylene 7136.42
    n-nonanol 1121.2
    cyclohexanol 3757.2
    benzyl alcohol 1133.65
    2-ethylhexanol 2140.43
    isooctanol 1222.75
    dipropyl ether 5371.53
    1,2-dichlorobenzene 2499.56
    ethyl lactate 938.32
    propylene carbonate 2849.38
    n-methylformamide 1119.74
    2-pentanol 2559.8
    n-pentane 1131.34
    1-propoxy-2-propanol 2986.42
    1-methoxy-2-propyl acetate 3099.46
    2-(2-methoxypropoxy) propanol 1288.24
    mesitylene 976.71
    ε-caprolactone 5993.08
    p-cymene 1035.04
    epichlorohydrin 5094.01
    1,1,1-trichloroethane 5994.62
    2-aminoethanol 310.2
    morpholine-4-carbaldehyde 3020.17
    sulfolane 4579.37
    2,2,4-trimethylpentane 399.96
    2-methyltetrahydrofuran 6995.06
    n-hexyl acetate 3931.8
    isooctane 361.47
    2-(2-butoxyethoxy)ethanol 1966.21
    sec-butyl acetate 3622.38
    tert-butyl acetate 4341.64
    decalin 927.86
    glycerin 252.05
    diglyme 4275.77
    acrylic acid 695.09
    isopropyl myristate 1354.01
    n-butyric acid 4105.15
    acetyl acetate 2187.26
    di(2-ethylhexyl) phthalate 714.73
    ethyl propionate 3867.92
    nitromethane 2151.2
    1,2-diethoxyethane 5036.43
    benzonitrile 2210.77
    trioctyl phosphate 632.58
    1-bromopropane 5041.05
    gamma-valerolactone 6429.66
    n-decanol 722.76
    triethyl phosphate 1207.83
    4-methyl-2-pentanol 1483.81
    propionitrile 2734.93
    vinylene carbonate 2029.73
    1,1,2-trichlorotrifluoroethane 2459.45
    DMS 1580.25
    cumene 900.91
    2-octanol 1143.86
    2-hexanone 4119.91
    octyl acetate 1462.4
    limonene 2075.65
    1,2-dimethoxyethane 5187.6
    ethyl orthosilicate 1277.36
    tributyl phosphate 901.92
    diacetone alcohol 2706.57
    N,N-dimethylaniline 1259.23
    acrylonitrile 2078.47
    aniline 1649.27
    1,3-propanediol 838.42
    bromobenzene 3042.28
    dibromomethane 5375.43
    1,1,2,2-tetrachloroethane 6780.57
    2-methyl-cyclohexyl acetate 2233.82
    tetrabutyl urea 1209.14
    diisobutyl methanol 1469.71
    2-phenylethanol 1235.33
    styrene 1687.28
    dioctyl adipate 1655.85
    dimethyl sulfate 792.77
    ethyl butyrate 4696.31
    methyl lactate 669.53
    butyl lactate 1873.54
    diethyl carbonate 2112.88
    propanediol butyl ether 1219.34
    triethyl orthoformate 2810.37
    p-tert-butyltoluene 934.77
    methyl 4-tert-butylbenzoate 1532.39
    morpholine 6268.37
    tert-butylamine 2786.81
    n-dodecanol 534.0
    dimethoxymethane 2199.6
    ethylene carbonate 2390.37
    cyrene 910.6
    2-ethoxyethyl acetate 3057.68
    2-ethylhexyl acetate 4031.81
    1,2,4-trichlorobenzene 2545.45
    4-methylpyridine 4703.17
    dibutyl ether 4645.84
    2,6-dimethyl-4-heptanol 1469.71
    DEF 4894.0
    dimethyl isosorbide 2256.89
    tetrachloroethylene 4355.39
    eugenol 1169.59
    triacetin 2214.6
    span 80 1430.35
    1,4-butanediol 307.33
    1,1-dichloroethane 5808.69
    2-methyl-1-pentanol 1725.68
    methyl formate 690.98
    2-methyl-1-butanol 2384.93
    n-decane 481.99
    butyronitrile 3835.29
    3,7-dimethyl-1-octanol 1484.14
    1-chlorooctane 1611.52
    1-chlorotetradecane 488.74
    n-nonane 546.75
    undecane 272.44
    tert-butylcyclohexane 739.51
    cyclooctane 932.88
    cyclopentanol 3037.85
    tetrahydropyran 9823.92
    tert-amyl methyl ether 3535.61
    2,5,8-trioxanonane 2169.18
    1-hexene 4263.62
    2-isopropoxyethanol 1613.98
    2,2,2-trifluoroethanol 278.27
    methyl butyrate 5451.64

    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