8-Hexadecanone

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  • Identifiers

    CAS number
    18277-02-6

    Molecular formula
    C16H32O

    SMILES
    CCCCCCCCC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 63.34%
    Waxy 58.26%
    Oily 49.76%
    Fruity 45.43%
    Floral 40.23%
    Dairy 38.57%
    Citrus 37.32%
    Jasmin 32.59%
    Fresh 32.38%
    Milky 32.33%

     

    Flavor
    Fatty 51.18%
    Waxy 48.58%
    Fat 38.47%
    Oily 34.3%
    Herbal 33.91%
    Fresh 33.63%
    Coconut 32.85%
    Floral 32.23%
    Soapy 31.64%
    Fruity 28.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.95 (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

    • 126.9 ˚C est.

  • Synonyms

    • 8-hexadecanone
    • 18277-02-6
    • DTXSID70473186
    • RefChem:312044
    • DTXCID00424000
    • Hexadecan-8-one
    • SCHEMBL3397001
    • SCHEMBL6535820
    • SCHEMBL9736541
    • CHEMBL3273574
    • ALUNYBONRLSEIF-UHFFFAOYSA-N
    • 18277-02-6

  • Applications

    8-Hexadecanone (CAS 18277-02-6) is a long-chain aliphatic ketone commonly used in perfumery as a fragrance intermediate and a fixative to improve scent longevity; it is often evaluated as a solvent or plasticizer in polymers and coatings, aiding formulation and processing; it serves as an intermediate in the synthesis of other aroma chemicals and fragrance materials; in cosmetics and personal care, it may be employed as a fragrance component or carrier; in industrial manufacturing, it can function as a non-polar solvent or processing aid for paints, inks, and cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1917.57
    methanol 1099.74
    isopropanol 2816.84
    water 0.02
    ethyl acetate 7043.44
    n-propanol 2418.17
    acetone 6876.67
    n-butanol 2777.47
    acetonitrile 2499.43
    DMF 4524.81
    toluene 2470.07
    isobutanol 2431.25
    1,4-dioxane 5155.68
    methyl acetate 3739.59
    THF 8929.81
    2-butanone 6194.26
    n-pentanol 1744.34
    sec-butanol 2761.1
    n-hexane 2434.76
    ethylene glycol 64.69
    NMP 4831.5
    cyclohexane 4657.88
    DMSO 3997.98
    n-butyl acetate 7266.16
    n-octanol 1303.55
    chloroform 8827.25
    n-propyl acetate 5865.26
    acetic acid 1302.84
    dichloromethane 8595.61
    cyclohexanone 11863.77
    propylene glycol 251.26
    isopropyl acetate 5546.35
    DMAc 3794.23
    2-ethoxyethanol 1814.88
    isopentanol 3067.23
    n-heptane 1654.37
    ethyl formate 2409.92
    1,2-dichloroethane 7188.94
    n-hexanol 2146.74
    2-methoxyethanol 2623.19
    isobutyl acetate 3322.15
    tetrachloromethane 2332.23
    n-pentyl acetate 5025.98
    transcutol 8504.58
    n-heptanol 1219.42
    ethylbenzene 1635.39
    MIBK 4233.8
    2-propoxyethanol 2729.34
    tert-butanol 3960.03
    MTBE 6696.49
    2-butoxyethanol 2117.44
    propionic acid 1820.44
    o-xylene 1728.39
    formic acid 126.61
    diethyl ether 7268.07
    m-xylene 1714.4
    p-xylene 2326.45
    chlorobenzene 3357.29
    dimethyl carbonate 824.32
    n-octane 503.16
    formamide 312.06
    cyclopentanone 8696.07
    2-pentanone 6860.44
    anisole 2335.03
    cyclopentyl methyl ether 6565.67
    gamma-butyrolactone 6902.38
    1-methoxy-2-propanol 2840.66
    pyridine 5856.53
    3-pentanone 4741.24
    furfural 4361.8
    n-dodecane 205.64
    diethylene glycol 795.68
    diisopropyl ether 2771.24
    tert-amyl alcohol 3429.85
    acetylacetone 5382.19
    n-hexadecane 261.5
    acetophenone 2334.29
    methyl propionate 3705.08
    isopentyl acetate 6203.3
    trichloroethylene 10152.59
    n-nonanol 1194.13
    cyclohexanol 4621.67
    benzyl alcohol 1329.39
    2-ethylhexanol 2356.58
    isooctanol 1300.82
    dipropyl ether 6029.67
    1,2-dichlorobenzene 3351.29
    ethyl lactate 1144.91
    propylene carbonate 3995.27
    n-methylformamide 1565.7
    2-pentanol 2781.91
    n-pentane 1347.99
    1-propoxy-2-propanol 3426.66
    1-methoxy-2-propyl acetate 4180.73
    2-(2-methoxypropoxy) propanol 1560.34
    mesitylene 1311.93
    ε-caprolactone 7969.19
    p-cymene 1296.79
    epichlorohydrin 6882.25
    1,1,1-trichloroethane 8126.25
    2-aminoethanol 350.05
    morpholine-4-carbaldehyde 4192.43
    sulfolane 7248.94
    2,2,4-trimethylpentane 521.61
    2-methyltetrahydrofuran 8750.93
    n-hexyl acetate 5025.54
    isooctane 444.69
    2-(2-butoxyethoxy)ethanol 2322.94
    sec-butyl acetate 4388.72
    tert-butyl acetate 5688.05
    decalin 1158.31
    glycerin 304.01
    diglyme 5184.65
    acrylic acid 937.62
    isopropyl myristate 1691.37
    n-butyric acid 4967.36
    acetyl acetate 2941.25
    di(2-ethylhexyl) phthalate 880.35
    ethyl propionate 4897.85
    nitromethane 3122.03
    1,2-diethoxyethane 6098.69
    benzonitrile 2676.17
    trioctyl phosphate 780.86
    1-bromopropane 6049.17
    gamma-valerolactone 8760.73
    n-decanol 783.93
    triethyl phosphate 1556.77
    4-methyl-2-pentanol 1631.56
    propionitrile 3158.73
    vinylene carbonate 2867.51
    1,1,2-trichlorotrifluoroethane 3393.69
    DMS 2296.43
    cumene 1091.49
    2-octanol 1250.49
    2-hexanone 4839.22
    octyl acetate 1821.09
    limonene 2653.94
    1,2-dimethoxyethane 5655.59
    ethyl orthosilicate 1638.97
    tributyl phosphate 1164.28
    diacetone alcohol 3518.15
    N,N-dimethylaniline 1580.14
    acrylonitrile 2591.15
    aniline 2182.09
    1,3-propanediol 971.49
    bromobenzene 4095.69
    dibromomethane 6816.49
    1,1,2,2-tetrachloroethane 9151.07
    2-methyl-cyclohexyl acetate 2826.42
    tetrabutyl urea 1554.09
    diisobutyl methanol 1688.07
    2-phenylethanol 1450.18
    styrene 2106.72
    dioctyl adipate 2063.56
    dimethyl sulfate 1307.88
    ethyl butyrate 5636.42
    methyl lactate 913.96
    butyl lactate 2362.14
    diethyl carbonate 2579.03
    propanediol butyl ether 1422.93
    triethyl orthoformate 3446.53
    p-tert-butyltoluene 1198.73
    methyl 4-tert-butylbenzoate 1963.4
    morpholine 7199.16
    tert-butylamine 3133.11
    n-dodecanol 589.03
    dimethoxymethane 2865.91
    ethylene carbonate 3230.53
    cyrene 1139.28
    2-ethoxyethyl acetate 3966.56
    2-ethylhexyl acetate 5038.77
    1,2,4-trichlorobenzene 3491.26
    4-methylpyridine 6111.56
    dibutyl ether 5411.86
    2,6-dimethyl-4-heptanol 1688.07
    DEF 6660.87
    dimethyl isosorbide 2984.24
    tetrachloroethylene 6059.08
    eugenol 1422.04
    triacetin 2957.57
    span 80 1714.43
    1,4-butanediol 332.4
    1,1-dichloroethane 7432.57
    2-methyl-1-pentanol 1821.02
    methyl formate 966.38
    2-methyl-1-butanol 2618.99
    n-decane 527.96
    butyronitrile 4272.13
    3,7-dimethyl-1-octanol 1669.91
    1-chlorooctane 1933.87
    1-chlorotetradecane 592.46
    n-nonane 608.06
    undecane 301.92
    tert-butylcyclohexane 907.53
    cyclooctane 1169.41
    cyclopentanol 3702.37
    tetrahydropyran 11110.47
    tert-amyl methyl ether 4443.0
    2,5,8-trioxanonane 2630.55
    1-hexene 4557.26
    2-isopropoxyethanol 1785.55
    2,2,2-trifluoroethanol 403.55
    methyl butyrate 6651.0

    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