4-Hexadecanone

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  • Identifiers

    CAS number
    18787-65-0

    Molecular formula
    C16H32O

    SMILES
    CCCCCCCCCCCCC(=O)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 68.29%
    Waxy 60.22%
    Fruity 57.82%
    Oily 53.35%
    Dairy 40.72%
    Floral 38.07%
    Creamy 36.4%
    Coconut 33.55%
    Milky 33.48%
    Citrus 31.26%

     

    Flavor
    Waxy 59.69%
    Fatty 55.57%
    Fruity 42.43%
    Oily 42.15%
    Fat 40.39%
    Coconut 40.17%
    Soapy 39.64%
    Floral 39.6%
    Fresh 36.83%
    Creamy 35.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.7 (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

    • 127.51 ˚C est.

  • Synonyms

    • 4-Hexadecanone
    • 18787-65-0
    • RefChem:99092
    • JWIKKFZLSSZWRK-UHFFFAOYSA-N
    • hexadecan-4-one
    • SCHEMBL3121664
    • CHEMBL3273570
    • SCHEMBL12500924
    • DTXSID601317347
    • AKOS012716761
    • G62990
    • 18787-65-0

  • Applications

    4-Hexadecanone (CAS 18787-65-0) is a long-chain aliphatic ketone commonly used as a fragrance ingredient and odorant in perfumery, where it can contribute musky, fatty, or waxy notes and may act as a light fixative. It may also be employed in cosmetic and personal-care formulations as a scent component or solvent for other actives. In household products, it can serve as a fragrance additive in cleaners and air fresheners. In industrial manufacturing, it is used as a solvent or processing aid and as an intermediate in organic synthesis for the preparation of specialty chemicals. It can also find use in coatings and inks as a fragrance additive or processing solvent, subject to formulation limits and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2237.24
    methanol 1334.62
    isopropanol 3319.28
    water 0.02
    ethyl acetate 6311.42
    n-propanol 2905.25
    acetone 6530.33
    n-butanol 3295.97
    acetonitrile 2462.41
    DMF 3822.03
    toluene 2120.32
    isobutanol 2822.35
    1,4-dioxane 5339.73
    methyl acetate 3476.23
    THF 9010.26
    2-butanone 5930.51
    n-pentanol 2066.61
    sec-butanol 3321.07
    n-hexane 2831.67
    ethylene glycol 63.41
    NMP 3889.54
    cyclohexane 5260.82
    DMSO 3375.03
    n-butyl acetate 6920.23
    n-octanol 1468.03
    chloroform 8513.87
    n-propyl acetate 5949.34
    acetic acid 1250.25
    dichloromethane 8146.25
    cyclohexanone 10975.87
    propylene glycol 244.13
    isopropyl acetate 5243.42
    DMAc 3204.01
    2-ethoxyethanol 1979.13
    isopentanol 3444.54
    n-heptane 1885.91
    ethyl formate 2328.07
    1,2-dichloroethane 6345.12
    n-hexanol 2379.68
    2-methoxyethanol 2661.69
    isobutyl acetate 3354.21
    tetrachloromethane 2163.52
    n-pentyl acetate 4904.03
    transcutol 7913.4
    n-heptanol 1343.79
    ethylbenzene 1534.31
    MIBK 4165.82
    2-propoxyethanol 2752.58
    tert-butanol 4365.93
    MTBE 6811.84
    2-butoxyethanol 2165.69
    propionic acid 1751.45
    o-xylene 1459.52
    formic acid 119.27
    diethyl ether 7826.42
    m-xylene 1495.13
    p-xylene 2130.92
    chlorobenzene 3011.51
    dimethyl carbonate 643.62
    n-octane 559.22
    formamide 270.76
    cyclopentanone 7686.43
    2-pentanone 6637.08
    anisole 2165.58
    cyclopentyl methyl ether 6379.18
    gamma-butyrolactone 5764.16
    1-methoxy-2-propanol 2827.57
    pyridine 5468.59
    3-pentanone 4296.39
    furfural 3646.14
    n-dodecane 221.94
    diethylene glycol 742.66
    diisopropyl ether 2771.34
    tert-amyl alcohol 3700.96
    acetylacetone 4665.41
    n-hexadecane 280.27
    acetophenone 2120.94
    methyl propionate 3212.93
    isopentyl acetate 5866.91
    trichloroethylene 8373.49
    n-nonanol 1325.93
    cyclohexanol 4810.16
    benzyl alcohol 1296.14
    2-ethylhexanol 2544.58
    isooctanol 1426.81
    dipropyl ether 6555.76
    1,2-dichlorobenzene 2886.91
    ethyl lactate 1069.67
    propylene carbonate 3398.04
    n-methylformamide 1389.92
    2-pentanol 3120.25
    n-pentane 1558.09
    1-propoxy-2-propanol 3431.65
    1-methoxy-2-propyl acetate 3633.31
    2-(2-methoxypropoxy) propanol 1453.86
    mesitylene 1166.48
    ε-caprolactone 7381.02
    p-cymene 1222.19
    epichlorohydrin 6108.34
    1,1,1-trichloroethane 7232.74
    2-aminoethanol 355.55
    morpholine-4-carbaldehyde 3692.43
    sulfolane 5737.73
    2,2,4-trimethylpentane 530.86
    2-methyltetrahydrofuran 8926.7
    n-hexyl acetate 4806.43
    isooctane 461.77
    2-(2-butoxyethoxy)ethanol 2218.29
    sec-butyl acetate 4286.29
    tert-butyl acetate 5276.16
    decalin 1175.96
    glycerin 279.65
    diglyme 4822.91
    acrylic acid 835.39
    isopropyl myristate 1609.03
    n-butyric acid 4996.25
    acetyl acetate 2583.53
    di(2-ethylhexyl) phthalate 813.56
    ethyl propionate 4596.03
    nitromethane 2720.12
    1,2-diethoxyethane 5976.64
    benzonitrile 2519.27
    trioctyl phosphate 736.27
    1-bromopropane 6121.73
    gamma-valerolactone 7855.14
    n-decanol 834.8
    triethyl phosphate 1435.58
    4-methyl-2-pentanol 1758.77
    propionitrile 3220.29
    vinylene carbonate 2433.44
    1,1,2-trichlorotrifluoroethane 2950.52
    DMS 1851.87
    cumene 1033.12
    2-octanol 1371.25
    2-hexanone 5050.07
    octyl acetate 1731.79
    limonene 2549.13
    1,2-dimethoxyethane 6052.92
    ethyl orthosilicate 1548.62
    tributyl phosphate 1063.27
    diacetone alcohol 3199.28
    N,N-dimethylaniline 1452.2
    acrylonitrile 2471.51
    aniline 1956.62
    1,3-propanediol 964.91
    bromobenzene 3645.77
    dibromomethane 6732.55
    1,1,2,2-tetrachloroethane 7978.45
    2-methyl-cyclohexyl acetate 2625.13
    tetrabutyl urea 1442.06
    diisobutyl methanol 1720.64
    2-phenylethanol 1384.07
    styrene 1954.98
    dioctyl adipate 1921.67
    dimethyl sulfate 958.38
    ethyl butyrate 5542.62
    methyl lactate 796.02
    butyl lactate 2178.64
    diethyl carbonate 2443.98
    propanediol butyl ether 1393.46
    triethyl orthoformate 3336.87
    p-tert-butyltoluene 1109.81
    methyl 4-tert-butylbenzoate 1763.49
    morpholine 7457.12
    tert-butylamine 3509.74
    n-dodecanol 618.19
    dimethoxymethane 2650.26
    ethylene carbonate 2836.84
    cyrene 1048.56
    2-ethoxyethyl acetate 3580.69
    2-ethylhexyl acetate 4745.54
    1,2,4-trichlorobenzene 2949.64
    4-methylpyridine 5536.47
    dibutyl ether 5666.28
    2,6-dimethyl-4-heptanol 1720.64
    DEF 6093.4
    dimethyl isosorbide 2586.12
    tetrachloroethylene 5224.05
    eugenol 1288.82
    triacetin 2591.35
    span 80 1619.52
    1,4-butanediol 347.26
    1,1-dichloroethane 7060.37
    2-methyl-1-pentanol 2063.91
    methyl formate 834.37
    2-methyl-1-butanol 2943.12
    n-decane 590.95
    butyronitrile 4645.53
    3,7-dimethyl-1-octanol 1766.16
    1-chlorooctane 1999.07
    1-chlorotetradecane 590.64
    n-nonane 682.84
    undecane 329.7
    tert-butylcyclohexane 930.36
    cyclooctane 1258.22
    cyclopentanol 3875.6
    tetrahydropyran 12004.99
    tert-amyl methyl ether 4438.53
    2,5,8-trioxanonane 2411.98
    1-hexene 5215.45
    2-isopropoxyethanol 1912.98
    2,2,2-trifluoroethanol 350.4
    methyl butyrate 6428.81

    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