Hex-3-enyl hexadecanoate

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  • Identifiers

    CAS number
    233666-03-0

    Molecular formula
    C22H42O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCCC=CCC

  • Odor profile

    Fragrance
    Fatty 72.21%
    Oily 66.48%
    Waxy 63.02%
    Fruity 54.33%
    Floral 35.98%
    Cognac 32.34%
    Winey 32.09%
    Rose 31.58%
    Sweet 29.45%
    Citrus 28.13%

     

    Flavor
    Waxy 65.11%
    Oily 43.64%
    Fatty 41.83%
    Soapy 38.54%
    Fruity 36.02%
    Mild 33.82%
    Sweet 29.56%
    Creamy 29.54%
    Floral 29.39%
    Clean 27.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    7.33 (neutral)

    Molecular weight
    338.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Flash point

    • 176.77 ˚C est.

  • Synonyms

    • 233666-03-0
    • DTXSID901020070
    • CID 53936829
    • 3-hexen-1-yl palmitate
    • DTXCID601478119
    • NS00122379

  • Applications

    Hex-3-enyl hexadecanoate (CAS 233666-03-0) is primarily used as a fragrance ingredient and cosmetic emollient, with the long-chain palmitate ester providing a fatty, subtle note and serving as a fragrance carrier in formulations. It can function as a skin-conditioning agent in personal care products, and may help dissolve and solubilize aroma compounds in cosmetic systems. In household products, it is used to impart and stabilize fragrance in cleaners and air fresheners. In coatings and inks, it may act as a processing aid or plasticizer, improving gloss, texture, and compatibility with other additives. In fragrance synthesis, it may be employed as an intermediate or building block, and its long hydrocarbon chain can contribute to fragrance longevity in formulated products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.0
    methanol 75.69
    isopropanol 133.73
    water 0.03
    ethyl acetate 905.98
    n-propanol 145.26
    acetone 527.97
    n-butanol 209.06
    acetonitrile 181.75
    DMF 637.46
    toluene 373.26
    isobutanol 173.54
    1,4-dioxane 713.98
    methyl acetate 464.72
    THF 1657.14
    2-butanone 694.69
    n-pentanol 155.66
    sec-butanol 219.16
    n-hexane 137.3
    ethylene glycol 5.37
    NMP 1541.2
    cyclohexane 698.79
    DMSO 731.64
    n-butyl acetate 935.51
    n-octanol 192.68
    chloroform 1832.24
    n-propyl acetate 1000.84
    acetic acid 169.09
    dichloromethane 2119.62
    cyclohexanone 2066.18
    propylene glycol 20.19
    isopropyl acetate 864.87
    DMAc 1268.39
    2-ethoxyethanol 272.75
    isopentanol 289.22
    n-heptane 133.65
    ethyl formate 281.8
    1,2-dichloroethane 1600.43
    n-hexanol 164.57
    2-methoxyethanol 258.25
    isobutyl acetate 649.62
    tetrachloromethane 511.84
    n-pentyl acetate 1181.51
    transcutol 1676.11
    n-heptanol 166.66
    ethylbenzene 277.43
    MIBK 815.53
    2-propoxyethanol 321.14
    tert-butanol 305.18
    MTBE 684.72
    2-butoxyethanol 387.8
    propionic acid 200.63
    o-xylene 352.49
    formic acid 24.71
    diethyl ether 642.08
    m-xylene 299.5
    p-xylene 417.36
    chlorobenzene 647.69
    dimethyl carbonate 169.23
    n-octane 60.57
    formamide 63.92
    cyclopentanone 1747.86
    2-pentanone 887.2
    anisole 518.08
    cyclopentyl methyl ether 1252.57
    gamma-butyrolactone 1458.59
    1-methoxy-2-propanol 329.65
    pyridine 853.29
    3-pentanone 736.06
    furfural 892.08
    n-dodecane 30.66
    diethylene glycol 96.45
    diisopropyl ether 348.11
    tert-amyl alcohol 382.24
    acetylacetone 981.63
    n-hexadecane 39.08
    acetophenone 634.49
    methyl propionate 569.21
    isopentyl acetate 907.46
    trichloroethylene 2294.49
    n-nonanol 198.4
    cyclohexanol 580.72
    benzyl alcohol 236.88
    2-ethylhexanol 240.22
    isooctanol 196.27
    dipropyl ether 647.51
    1,2-dichlorobenzene 817.97
    ethyl lactate 236.34
    propylene carbonate 827.38
    n-methylformamide 183.35
    2-pentanol 227.62
    n-pentane 93.77
    1-propoxy-2-propanol 409.88
    1-methoxy-2-propyl acetate 751.82
    2-(2-methoxypropoxy) propanol 367.37
    mesitylene 258.92
    ε-caprolactone 1665.57
    p-cymene 222.01
    epichlorohydrin 1632.04
    1,1,1-trichloroethane 1795.52
    2-aminoethanol 28.66
    morpholine-4-carbaldehyde 991.91
    sulfolane 2151.46
    2,2,4-trimethylpentane 93.17
    2-methyltetrahydrofuran 1535.5
    n-hexyl acetate 1046.2
    isooctane 53.05
    2-(2-butoxyethoxy)ethanol 505.78
    sec-butyl acetate 804.4
    tert-butyl acetate 1096.69
    decalin 202.25
    glycerin 34.63
    diglyme 1301.95
    acrylic acid 123.32
    isopropyl myristate 345.87
    n-butyric acid 580.42
    acetyl acetate 517.16
    di(2-ethylhexyl) phthalate 224.95
    ethyl propionate 831.93
    nitromethane 481.33
    1,2-diethoxyethane 1000.85
    benzonitrile 386.13
    trioctyl phosphate 177.57
    1-bromopropane 985.05
    gamma-valerolactone 1919.37
    n-decanol 127.38
    triethyl phosphate 390.83
    4-methyl-2-pentanol 180.81
    propionitrile 264.88
    vinylene carbonate 587.13
    1,1,2-trichlorotrifluoroethane 782.68
    DMS 499.91
    cumene 205.61
    2-octanol 185.97
    2-hexanone 780.98
    octyl acetate 400.53
    limonene 482.42
    1,2-dimethoxyethane 951.41
    ethyl orthosilicate 405.02
    tributyl phosphate 262.14
    diacetone alcohol 682.76
    N,N-dimethylaniline 377.14
    acrylonitrile 233.46
    aniline 304.68
    1,3-propanediol 79.61
    bromobenzene 840.07
    dibromomethane 1424.62
    1,1,2,2-tetrachloroethane 2299.66
    2-methyl-cyclohexyl acetate 696.2
    tetrabutyl urea 404.69
    diisobutyl methanol 207.76
    2-phenylethanol 226.95
    styrene 334.39
    dioctyl adipate 513.45
    dimethyl sulfate 387.33
    ethyl butyrate 926.8
    methyl lactate 167.41
    butyl lactate 524.8
    diethyl carbonate 454.28
    propanediol butyl ether 278.47
    triethyl orthoformate 656.39
    p-tert-butyltoluene 201.03
    methyl 4-tert-butylbenzoate 642.18
    morpholine 983.71
    tert-butylamine 240.97
    n-dodecanol 92.1
    dimethoxymethane 471.55
    ethylene carbonate 594.43
    cyrene 395.56
    2-ethoxyethyl acetate 1068.93
    2-ethylhexyl acetate 833.93
    1,2,4-trichlorobenzene 899.2
    4-methylpyridine 912.26
    dibutyl ether 787.15
    2,6-dimethyl-4-heptanol 207.76
    DEF 1143.59
    dimethyl isosorbide 927.15
    tetrachloroethylene 1446.23
    eugenol 411.44
    triacetin 910.6
    span 80 387.77
    1,4-butanediol 34.75
    1,1-dichloroethane 1338.21
    2-methyl-1-pentanol 227.23
    methyl formate 130.63
    2-methyl-1-butanol 262.79
    n-decane 74.63
    butyronitrile 378.27
    3,7-dimethyl-1-octanol 237.28
    1-chlorooctane 341.56
    1-chlorotetradecane 102.06
    n-nonane 76.17
    undecane 44.24
    tert-butylcyclohexane 131.02
    cyclooctane 166.55
    cyclopentanol 461.1
    tetrahydropyran 1459.7
    tert-amyl methyl ether 687.47
    2,5,8-trioxanonane 686.82
    1-hexene 286.24
    2-isopropoxyethanol 289.3
    2,2,2-trifluoroethanol 87.63
    methyl butyrate 1124.14

    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