6-Hexadecanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    57661-23-1

    Molecular formula
    C16H32O

    SMILES
    CCCCCCCCCCC(=O)CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 63.41%
    Waxy 57.35%
    Oily 49.51%
    Fruity 46.34%
    Dairy 39.43%
    Floral 38.61%
    Citrus 36.62%
    Milky 32.86%
    Creamy 32.66%
    Coconut 32.08%

     

    Flavor
    Fatty 51.56%
    Waxy 48.95%
    Fat 38.55%
    Oily 34.66%
    Herbal 34.21%
    Fresh 34.03%
    Coconut 33.49%
    Floral 32.6%
    Soapy 32.05%
    Fruity 29.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.66 (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

    • 127.35 ˚C est.

  • Synonyms

    • 6-Hexadecanone
    • Hexadecan-6-one
    • 57661-23-1
    • EINECS 260-885-6
    • NSC158532
    • SCHEMBL1784579
    • SCHEMBL4558500
    • CHEMBL3273572
    • SCHEMBL28714975
    • DTXSID60206364
    • NSC 158532
    • NSC-158532
    • NS00053900
    • 57661-23-1

  • Applications

    6-Hexadecanone (CAS 57661-23-1) is a long-chain aliphatic ketone commonly used in perfumery as a fragrance ingredient and potential fixative; it may also serve as a solvent or processing aid in cosmetics and household products, and is viewed as a chemical intermediate for fragrance synthesis or as a building block for polymers and coatings in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2499.48
    methanol 1435.66
    isopropanol 3524.91
    water 0.02
    ethyl acetate 7355.68
    n-propanol 3038.19
    acetone 7280.48
    n-butanol 3380.99
    acetonitrile 2734.97
    DMF 4041.01
    toluene 2414.86
    isobutanol 2873.36
    1,4-dioxane 5799.65
    methyl acetate 3828.47
    THF 9560.32
    2-butanone 6337.88
    n-pentanol 2136.84
    sec-butanol 3354.88
    n-hexane 2649.53
    ethylene glycol 69.52
    NMP 4126.04
    cyclohexane 5133.66
    DMSO 3711.31
    n-butyl acetate 7756.66
    n-octanol 1416.19
    chloroform 8813.15
    n-propyl acetate 6270.82
    acetic acid 1391.45
    dichloromethane 8473.28
    cyclohexanone 11658.72
    propylene glycol 261.56
    isopropyl acetate 5797.28
    DMAc 3392.16
    2-ethoxyethanol 2029.08
    isopentanol 3580.39
    n-heptane 1858.16
    ethyl formate 2546.16
    1,2-dichloroethane 6884.82
    n-hexanol 2500.04
    2-methoxyethanol 2855.22
    isobutyl acetate 3471.43
    tetrachloromethane 2141.21
    n-pentyl acetate 5126.36
    transcutol 8695.54
    n-heptanol 1372.26
    ethylbenzene 1630.97
    MIBK 4308.68
    2-propoxyethanol 2959.79
    tert-butanol 4498.99
    MTBE 7058.66
    2-butoxyethanol 2274.65
    propionic acid 1883.89
    o-xylene 1616.6
    formic acid 129.43
    diethyl ether 8333.3
    m-xylene 1610.45
    p-xylene 2273.15
    chlorobenzene 3224.04
    dimethyl carbonate 703.48
    n-octane 529.27
    formamide 305.17
    cyclopentanone 8235.09
    2-pentanone 7207.61
    anisole 2320.94
    cyclopentyl methyl ether 6480.85
    gamma-butyrolactone 6295.2
    1-methoxy-2-propanol 2942.02
    pyridine 6183.74
    3-pentanone 4541.63
    furfural 3944.08
    n-dodecane 213.31
    diethylene glycol 815.05
    diisopropyl ether 2845.81
    tert-amyl alcohol 3804.97
    acetylacetone 5249.39
    n-hexadecane 269.0
    acetophenone 2283.29
    methyl propionate 3508.96
    isopentyl acetate 6511.12
    trichloroethylene 9283.22
    n-nonanol 1301.73
    cyclohexanol 4935.16
    benzyl alcohol 1360.66
    2-ethylhexanol 2589.29
    isooctanol 1431.33
    dipropyl ether 6717.85
    1,2-dichlorobenzene 3089.27
    ethyl lactate 1129.84
    propylene carbonate 3761.48
    n-methylformamide 1501.87
    2-pentanol 3170.93
    n-pentane 1508.09
    1-propoxy-2-propanol 3693.4
    1-methoxy-2-propyl acetate 4146.44
    2-(2-methoxypropoxy) propanol 1525.14
    mesitylene 1216.81
    ε-caprolactone 7950.92
    p-cymene 1274.7
    epichlorohydrin 6662.87
    1,1,1-trichloroethane 7612.67
    2-aminoethanol 378.89
    morpholine-4-carbaldehyde 4010.69
    sulfolane 6052.72
    2,2,4-trimethylpentane 499.16
    2-methyltetrahydrofuran 9380.7
    n-hexyl acetate 5070.35
    isooctane 440.93
    2-(2-butoxyethoxy)ethanol 2337.32
    sec-butyl acetate 4603.0
    tert-butyl acetate 5712.48
    decalin 1142.98
    glycerin 299.54
    diglyme 5253.31
    acrylic acid 905.18
    isopropyl myristate 1646.46
    n-butyric acid 5436.83
    acetyl acetate 2942.02
    di(2-ethylhexyl) phthalate 845.85
    ethyl propionate 4909.45
    nitromethane 3049.43
    1,2-diethoxyethane 6536.94
    benzonitrile 2735.08
    trioctyl phosphate 745.7
    1-bromopropane 6413.0
    gamma-valerolactone 8579.94
    n-decanol 821.08
    triethyl phosphate 1489.14
    4-methyl-2-pentanol 1789.63
    propionitrile 3423.11
    vinylene carbonate 2670.25
    1,1,2-trichlorotrifluoroethane 3090.41
    DMS 2069.17
    cumene 1069.96
    2-octanol 1334.08
    2-hexanone 5165.01
    octyl acetate 1756.63
    limonene 2651.17
    1,2-dimethoxyethane 6203.48
    ethyl orthosilicate 1607.27
    tributyl phosphate 1104.45
    diacetone alcohol 3444.06
    N,N-dimethylaniline 1532.2
    acrylonitrile 2616.22
    aniline 2123.68
    1,3-propanediol 1070.56
    bromobenzene 3898.4
    dibromomethane 6934.62
    1,1,2,2-tetrachloroethane 8503.73
    2-methyl-cyclohexyl acetate 2819.95
    tetrabutyl urea 1485.92
    diisobutyl methanol 1771.78
    2-phenylethanol 1493.29
    styrene 2091.65
    dioctyl adipate 1978.8
    dimethyl sulfate 1042.01
    ethyl butyrate 6085.65
    methyl lactate 837.1
    butyl lactate 2297.44
    diethyl carbonate 2674.72
    propanediol butyl ether 1432.53
    triethyl orthoformate 3601.8
    p-tert-butyltoluene 1167.1
    methyl 4-tert-butylbenzoate 1831.02
    morpholine 8114.96
    tert-butylamine 3541.62
    n-dodecanol 608.4
    dimethoxymethane 2847.72
    ethylene carbonate 3141.73
    cyrene 1070.9
    2-ethoxyethyl acetate 3988.51
    2-ethylhexyl acetate 5208.69
    1,2,4-trichlorobenzene 3196.62
    4-methylpyridine 6147.47
    dibutyl ether 5797.28
    2,6-dimethyl-4-heptanol 1771.78
    DEF 6457.8
    dimethyl isosorbide 2768.44
    tetrachloroethylene 5522.26
    eugenol 1357.89
    triacetin 2784.02
    span 80 1677.15
    1,4-butanediol 362.86
    1,1-dichloroethane 7358.3
    2-methyl-1-pentanol 2095.66
    methyl formate 910.05
    2-methyl-1-butanol 2959.4
    n-decane 560.78
    butyronitrile 4835.79
    3,7-dimethyl-1-octanol 1774.25
    1-chlorooctane 1926.67
    1-chlorotetradecane 569.36
    n-nonane 638.31
    undecane 313.65
    tert-butylcyclohexane 890.14
    cyclooctane 1178.73
    cyclopentanol 3840.45
    tetrahydropyran 12948.84
    tert-amyl methyl ether 4472.59
    2,5,8-trioxanonane 2567.29
    1-hexene 5199.33
    2-isopropoxyethanol 1973.8
    2,2,2-trifluoroethanol 369.16
    methyl butyrate 6861.05

    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