3-Hexadecanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    18787-64-9

    Molecular formula
    C16H32O

    SMILES
    CCCCCCCCCCCCCC(=O)CC

  • Odor profile

    Fatty 72.43%
    Waxy 67.84%
    Oily 53.27%
    Fruity 45.58%
    Dairy 39.26%
    Creamy 36.77%
    Floral 33.93%
    Milky 33.32%
    Coconut 31.07%
    Citrus 30.88%

    Scent© AI

  • Properties

    XLogP3-AA
    6.7

    Molecular weight
    240.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point est.
    128.5 ˚C

  • Synonyms

    • 3-Hexadecanone
    • 18787-64-9
    • hexadecan-3-one
    • Ethyl n-tridecyl ketone
    • Ethyl tridecyl ketone
    • EINECS 242-572-6
    • NSC 158511
    • DTXSID4066412
    • NSC-158511
    • Cetan-3-one
    • MFCD00048458
    • NSC158511
    • U58JRT3EVM
    • 3-Hexadecanone, >=99%
    • SCHEMBL966153
    • CHEMBL3273569
    • DTXCID7035933
    • CHEBI:179365
    • LMFA12000188
    • AKOS009158491
    • FE66630
    • AS-56559
    • DB-044653
    • 3-Hexadecanone;St5410196;Nsc 158511
    • CS-0316386
    • H0565
    • NS00026142
    • D90903
    • Q63409529
    • 242-572-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 963.26
    methanol 591.61
    isopropanol 1507.84
    water 0.02
    ethyl acetate 4161.12
    n-propanol 1332.69
    acetone 3037.54
    n-butanol 1607.37
    acetonitrile 1310.94
    DMF 2118.84
    toluene 1381.85
    isobutanol 1302.43
    1,4-dioxane 3376.49
    methyl acetate 2151.21
    THF 5560.54
    2-butanone 3468.9
    n-pentanol 1094.93
    sec-butanol 1605.48
    n-hexane 1401.63
    ethylene glycol 30.11
    NMP 2470.69
    cyclohexane 2858.83
    DMSO 1913.38
    n-butyl acetate 4584.55
    n-octanol 844.64
    chloroform 5819.09
    n-propyl acetate 4048.19
    acetic acid 651.79
    dichloromethane 5657.9
    cyclohexanone 6592.74
    propylene glycol 121.05
    isopropyl acetate 3485.66
    DMAc 2198.03
    2-ethoxyethanol 1252.74
    isopentanol 1827.17
    n-heptane 1093.72
    ethyl formate 1394.15
    1,2-dichloroethane 4285.8
    n-hexanol 1309.63
    2-methoxyethanol 1447.71
    isobutyl acetate 2360.56
    tetrachloromethane 1514.22
    n-pentyl acetate 3345.11
    transcutol 5526.58
    n-heptanol 807.53
    ethylbenzene 1056.94
    MIBK 2644.27
    2-propoxyethanol 1702.85
    tert-butanol 2381.26
    MTBE 4112.82
    2-butoxyethanol 1432.15
    propionic acid 939.65
    o-xylene 1025.81
    formic acid 61.86
    diethyl ether 4460.52
    m-xylene 1001.94
    p-xylene 1470.34
    chlorobenzene 2003.0
    dimethyl carbonate 410.52
    n-octane 326.49
    formamide 145.72
    cyclopentanone 4704.22
    2-pentanone 3804.25
    anisole 1604.52
    cyclopentyl methyl ether 3943.28
    gamma-butyrolactone 3760.58
    1-methoxy-2-propanol 1691.56
    pyridine 3445.16
    3-pentanone 2705.1
    furfural 2536.6
    n-dodecane 134.68
    diethylene glycol 438.24
    diisopropyl ether 1725.2
    tert-amyl alcohol 2067.77
    acetylacetone 3092.2
    n-hexadecane 170.26
    acetophenone 1600.31
    methyl propionate 2046.1
    isopentyl acetate 3980.01
    trichloroethylene 5846.54
    n-nonanol 810.72
    cyclohexanol 2529.33
    benzyl alcohol 873.75
    2-ethylhexanol 1556.64
    isooctanol 900.63
    dipropyl ether 4354.13
    1,2-dichlorobenzene 2055.95
    ethyl lactate 749.31
    propylene carbonate 2301.44
    n-methylformamide 719.43
    2-pentanol 1599.5
    n-pentane 737.15
    1-propoxy-2-propanol 2178.19
    1-methoxy-2-propyl acetate 2573.24
    2-(2-methoxypropoxy) propanol 1056.36
    mesitylene 783.7
    ε-caprolactone 4891.55
    p-cymene 863.49
    epichlorohydrin 4078.58
    1,1,1-trichloroethane 4978.47
    2-aminoethanol 172.91
    morpholine-4-carbaldehyde 2499.4
    sulfolane 3918.84
    2,2,4-trimethylpentane 323.85
    2-methyltetrahydrofuran 5506.91
    n-hexyl acetate 3153.61
    isooctane 273.51
    2-(2-butoxyethoxy)ethanol 1550.09
    sec-butyl acetate 3047.69
    tert-butyl acetate 3586.99
    decalin 744.43
    glycerin 156.82
    diglyme 3481.55
    acrylic acid 452.75
    isopropyl myristate 1127.81
    n-butyric acid 2767.28
    acetyl acetate 1810.21
    di(2-ethylhexyl) phthalate 579.32
    ethyl propionate 3281.08
    nitromethane 1561.0
    1,2-diethoxyethane 4279.42
    benzonitrile 1711.05
    trioctyl phosphate 501.69
    1-bromopropane 3978.56
    gamma-valerolactone 5135.04
    n-decanol 517.72
    triethyl phosphate 1132.8
    4-methyl-2-pentanol 1003.32
    propionitrile 1903.85
    vinylene carbonate 1642.13
    1,1,2-trichlorotrifluoroethane 2070.91
    DMS 1322.32
    cumene 724.55
    2-octanol 826.14
    2-hexanone 3149.0
    octyl acetate 1198.09
    limonene 1716.96
    1,2-dimethoxyethane 4055.87
    ethyl orthosilicate 1208.41
    tributyl phosphate 747.01
    diacetone alcohol 2143.28
    N,N-dimethylaniline 1075.01
    acrylonitrile 1441.4
    aniline 1208.89
    1,3-propanediol 484.27
    bromobenzene 2444.74
    dibromomethane 4481.34
    1,1,2,2-tetrachloroethane 5634.45
    2-methyl-cyclohexyl acetate 2000.78
    tetrabutyl urea 1005.44
    diisobutyl methanol 1126.56
    2-phenylethanol 926.99
    styrene 1310.85
    dioctyl adipate 1385.34
    dimethyl sulfate 671.96
    ethyl butyrate 4103.51
    methyl lactate 484.51
    butyl lactate 1511.5
    diethyl carbonate 1849.4
    propanediol butyl ether 874.7
    triethyl orthoformate 2540.74
    p-tert-butyltoluene 775.85
    methyl 4-tert-butylbenzoate 1312.83
    morpholine 4523.57
    tert-butylamine 1871.97
    n-dodecanol 380.59
    dimethoxymethane 1603.66
    ethylene carbonate 1880.76
    cyrene 779.23
    2-ethoxyethyl acetate 2657.8
    2-ethylhexyl acetate 3304.82
    1,2,4-trichlorobenzene 2151.07
    4-methylpyridine 3534.61
    dibutyl ether 3598.16
    2,6-dimethyl-4-heptanol 1126.56
    DEF 3881.26
    dimethyl isosorbide 2000.25
    tetrachloroethylene 3645.64
    eugenol 965.42
    triacetin 1938.09
    span 80 1135.2
    1,4-butanediol 188.31
    1,1-dichloroethane 4470.78
    2-methyl-1-pentanol 1193.56
    methyl formate 466.3
    2-methyl-1-butanol 1524.93
    n-decane 349.43
    butyronitrile 2641.9
    3,7-dimethyl-1-octanol 1093.35
    1-chlorooctane 1260.9
    1-chlorotetradecane 375.24
    n-nonane 395.9
    undecane 198.57
    tert-butylcyclohexane 600.19
    cyclooctane 707.15
    cyclopentanol 2039.14
    tetrahydropyran 7143.44
    tert-amyl methyl ether 2836.31
    2,5,8-trioxanonane 1812.72
    1-hexene 2718.24
    2-isopropoxyethanol 1251.5
    2,2,2-trifluoroethanol 202.44
    methyl butyrate 4482.89

    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

Botanical

Name CAS Botanical Proportion
Cochlospermum planchonii tubercle Cochlospermum planchonii A.Rich, fam. Bixaceae (Cochlospermaceae) 0.2%