7-Hexadecanone

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  • Identifiers

    CAS number
    45206-91-5

    Molecular formula
    C16H32O

    SMILES
    CCCCCCCCCC(=O)CCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 62.82%
    Waxy 57.79%
    Oily 49.89%
    Fruity 45.67%
    Floral 40.5%
    Dairy 38.59%
    Citrus 37.23%
    Jasmin 33.06%
    Milky 32.42%
    Fresh 32.23%

     

    Flavor
    Fatty 50.77%
    Waxy 48.3%
    Fat 38.29%
    Herbal 34.28%
    Oily 34.19%
    Fresh 33.49%
    Coconut 32.53%
    Floral 32.25%
    Soapy 31.49%
    Fruity 28.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.84 (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

    • 128.34 ˚C est.

  • Synonyms

    • 7-Hexadecanone
    • 45206-91-5
    • Hexadecan-7-one
    • MFCD00027354
    • Hexylnonyl ketone
    • 7-?Hexadecanone
    • EINECS 256-205-2
    • NSC158525
    • n-Hexyl n-nonyl ketone
    • SCHEMBL1604602
    • SCHEMBL7842556
    • CHEMBL3273573
    • SCHEMBL10493778
    • DTXSID60196433
    • NSC 158525
    • NSC-158525
    • SY334593
    • DB-051277
    • CS-0147096
    • NS00057117
    • E81897
    • F827117
    • 45206-91-5

  • Applications

    7-Hexadecanone (CAS number: 45206-91-5) is primarily used as a fragrance ingredient in perfumery, where it can function as an odorant and, in some formulations, as a fixative to stabilize and extend aroma profiles. It may also be used as an intermediate in organic synthesis and as a processing aid in cosmetics and personal care formulations to impart or carry scent. In industrial manufacturing, it can serve as a specialty solvent or co-solvent and as a modifier in polymer or plastics formulations. In coatings and inks, it is sometimes employed as a fragrance additive or processing aid to influence odor characteristics and evaporation behavior.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2619.39
    methanol 1556.44
    isopropanol 3692.17
    water 0.02
    ethyl acetate 8922.11
    n-propanol 3300.15
    acetone 9182.33
    n-butanol 3708.52
    acetonitrile 3367.78
    DMF 5894.09
    toluene 3037.52
    isobutanol 3221.89
    1,4-dioxane 6578.95
    methyl acetate 4749.41
    THF 10877.19
    2-butanone 8151.94
    n-pentanol 2270.12
    sec-butanol 3677.98
    n-hexane 3147.84
    ethylene glycol 85.78
    NMP 5876.7
    cyclohexane 5732.37
    DMSO 5221.23
    n-butyl acetate 8862.67
    n-octanol 1542.94
    chloroform 10482.22
    n-propyl acetate 7335.86
    acetic acid 1700.12
    dichloromethane 10289.59
    cyclohexanone 14851.46
    propylene glycol 314.66
    isopropyl acetate 6868.66
    DMAc 4716.44
    2-ethoxyethanol 2325.64
    isopentanol 3966.49
    n-heptane 1937.86
    ethyl formate 3020.98
    1,2-dichloroethane 8832.97
    n-hexanol 2698.61
    2-methoxyethanol 3379.7
    isobutyl acetate 4058.52
    tetrachloromethane 2810.33
    n-pentyl acetate 6025.76
    transcutol 10334.54
    n-heptanol 1475.61
    ethylbenzene 1996.16
    MIBK 5260.61
    2-propoxyethanol 3369.71
    tert-butanol 5062.38
    MTBE 8715.01
    2-butoxyethanol 2562.24
    propionic acid 2335.44
    o-xylene 2069.88
    formic acid 171.44
    diethyl ether 9730.11
    m-xylene 2042.54
    p-xylene 2812.45
    chlorobenzene 4053.07
    dimethyl carbonate 1013.23
    n-octane 568.64
    formamide 426.52
    cyclopentanone 10729.17
    2-pentanone 8965.56
    anisole 2863.2
    cyclopentyl methyl ether 8081.99
    gamma-butyrolactone 8272.99
    1-methoxy-2-propanol 3557.05
    pyridine 7374.43
    3-pentanone 6009.71
    furfural 5254.67
    n-dodecane 223.67
    diethylene glycol 990.88
    diisopropyl ether 3535.5
    tert-amyl alcohol 4389.81
    acetylacetone 6578.74
    n-hexadecane 285.32
    acetophenone 2786.48
    methyl propionate 4570.93
    isopentyl acetate 7564.43
    trichloroethylene 12182.83
    n-nonanol 1400.34
    cyclohexanol 5805.78
    benzyl alcohol 1600.79
    2-ethylhexanol 2883.48
    isooctanol 1568.52
    dipropyl ether 7351.49
    1,2-dichlorobenzene 3992.33
    ethyl lactate 1357.98
    propylene carbonate 4683.17
    n-methylformamide 2085.99
    2-pentanol 3620.09
    n-pentane 1734.56
    1-propoxy-2-propanol 4136.35
    1-methoxy-2-propyl acetate 4975.56
    2-(2-methoxypropoxy) propanol 1822.03
    mesitylene 1547.5
    ε-caprolactone 9663.25
    p-cymene 1503.79
    epichlorohydrin 8308.32
    1,1,1-trichloroethane 9772.92
    2-aminoethanol 465.67
    morpholine-4-carbaldehyde 5108.86
    sulfolane 8403.71
    2,2,4-trimethylpentane 632.32
    2-methyltetrahydrofuran 11048.03
    n-hexyl acetate 5990.36
    isooctane 531.43
    2-(2-butoxyethoxy)ethanol 2744.84
    sec-butyl acetate 5390.0
    tert-butyl acetate 6922.17
    decalin 1375.09
    glycerin 378.42
    diglyme 6248.83
    acrylic acid 1198.13
    isopropyl myristate 1909.56
    n-butyric acid 6246.44
    acetyl acetate 3600.77
    di(2-ethylhexyl) phthalate 1004.96
    ethyl propionate 6043.78
    nitromethane 4104.84
    1,2-diethoxyethane 7410.01
    benzonitrile 3275.22
    trioctyl phosphate 888.42
    1-bromopropane 7506.78
    gamma-valerolactone 10791.33
    n-decanol 905.14
    triethyl phosphate 1808.99
    4-methyl-2-pentanol 1996.13
    propionitrile 4129.11
    vinylene carbonate 3426.29
    1,1,2-trichlorotrifluoroethane 4135.56
    DMS 2671.01
    cumene 1299.58
    2-octanol 1477.69
    2-hexanone 6129.17
    octyl acetate 2053.57
    limonene 3068.39
    1,2-dimethoxyethane 7138.32
    ethyl orthosilicate 1924.33
    tributyl phosphate 1340.92
    diacetone alcohol 4237.61
    N,N-dimethylaniline 1908.81
    acrylonitrile 3330.27
    aniline 2751.57
    1,3-propanediol 1267.71
    bromobenzene 4926.61
    dibromomethane 8140.2
    1,1,2,2-tetrachloroethane 10995.83
    2-methyl-cyclohexyl acetate 3319.83
    tetrabutyl urea 1787.31
    diisobutyl methanol 1979.66
    2-phenylethanol 1750.98
    styrene 2637.09
    dioctyl adipate 2351.31
    dimethyl sulfate 1579.83
    ethyl butyrate 6765.56
    methyl lactate 1105.02
    butyl lactate 2762.74
    diethyl carbonate 3048.96
    propanediol butyl ether 1698.41
    triethyl orthoformate 4127.08
    p-tert-butyltoluene 1384.91
    methyl 4-tert-butylbenzoate 2259.0
    morpholine 9253.7
    tert-butylamine 3988.64
    n-dodecanol 670.45
    dimethoxymethane 3651.33
    ethylene carbonate 3894.57
    cyrene 1301.24
    2-ethoxyethyl acetate 4735.11
    2-ethylhexyl acetate 6081.65
    1,2,4-trichlorobenzene 4113.05
    4-methylpyridine 7723.38
    dibutyl ether 6545.4
    2,6-dimethyl-4-heptanol 1979.66
    DEF 8463.77
    dimethyl isosorbide 3396.63
    tetrachloroethylene 7356.49
    eugenol 1664.06
    triacetin 3397.27
    span 80 1975.23
    1,4-butanediol 422.63
    1,1-dichloroethane 9014.07
    2-methyl-1-pentanol 2326.6
    methyl formate 1240.58
    2-methyl-1-butanol 3399.15
    n-decane 588.18
    butyronitrile 5486.55
    3,7-dimethyl-1-octanol 1999.18
    1-chlorooctane 2213.0
    1-chlorotetradecane 656.23
    n-nonane 678.36
    undecane 332.36
    tert-butylcyclohexane 1071.7
    cyclooctane 1384.44
    cyclopentanol 4629.31
    tetrahydropyran 14317.27
    tert-amyl methyl ether 5645.57
    2,5,8-trioxanonane 3024.68
    1-hexene 5979.85
    2-isopropoxyethanol 2238.58
    2,2,2-trifluoroethanol 512.21
    methyl butyrate 8237.66

    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