Hexadecyl hexadecenoate

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  • Identifiers

    CAS number
    71788-99-3

    Molecular formula
    C32H62O2

    SMILES
    CCCCCCCCCCCCCCCCOC(=O)C=CCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.92%
    Waxy 67.52%
    Oily 55.12%
    Odorless 28.58%
    Fruity 22.39%
    Sweet 22.3%
    Creamy 21.41%
    Dairy 20.19%
    Milky 18.76%
    Fishy 17.08%

     

    Flavor
    Waxy 53.34%
    Fatty 38.38%
    Mild 37.53%
    Oily 32.34%
    Faint 30.79%
    Bland 30.51%
    Fat 26.26%
    Slightly waxy 24.44%
    Soapy 23.34%
    Wax 22.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.1

    pKa est.
    8.61 (weak base)

    Molecular weight
    478.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    522°C

    Flash point

    • 238.01 ˚C est.

  • Synonyms

    • Hexadecyl hexadecenoate
    • 71788-99-3
    • EINECS 276-019-5
    • SCHEMBL10852072
    • TYCWLPZLNYBZLD-UHFFFAOYSA-N
    • NS00063518
    • 71788-99-3

  • Applications

    Hexadecyl hexadecenoate (CAS 71788-99-3) is a long-chain wax ester derived from hexadecyl alcohol and hexadecenoic acid. In real-world applications, it is commonly used as an emollient and skin-conditioning agent in cosmetics and personal care formulations; it also serves as an oil-like base that contributes to texture, slip, and spreadability on the skin. Additionally, it functions as a lubricant and processing aid in polymer and coatings applications, helping reduce friction and improve finish for wax- or ester-based systems. It can act as a plasticizer for waxy or resinous formulations, enhancing processability and flexibility. As an intermediate, it may be used in the synthesis of other esters or specialty oleochemicals; in pharmaceutical topical formulations, it can serve as an excipient/base for ointments. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.34
    methanol 6.09
    isopropanol 6.46
    water 0.05
    ethyl acetate 112.29
    n-propanol 10.39
    acetone 55.37
    n-butanol 13.6
    acetonitrile 17.34
    DMF 82.54
    toluene 57.52
    isobutanol 12.31
    1,4-dioxane 103.08
    methyl acetate 63.7
    THF 313.69
    2-butanone 91.91
    n-pentanol 14.96
    sec-butanol 15.97
    n-hexane 20.44
    ethylene glycol 0.75
    NMP 444.68
    cyclohexane 105.56
    DMSO 111.61
    n-butyl acetate 141.21
    n-octanol 38.58
    chloroform 443.94
    n-propyl acetate 140.14
    acetic acid 26.08
    dichloromethane 472.26
    cyclohexanone 387.81
    propylene glycol 2.38
    isopropyl acetate 124.06
    DMAc 265.01
    2-ethoxyethanol 34.52
    isopentanol 22.26
    n-heptane 24.86
    ethyl formate 40.33
    1,2-dichloroethane 283.46
    n-hexanol 15.95
    2-methoxyethanol 27.94
    isobutyl acetate 102.13
    tetrachloromethane 129.37
    n-pentyl acetate 287.59
    transcutol 293.14
    n-heptanol 30.55
    ethylbenzene 53.25
    MIBK 113.43
    2-propoxyethanol 40.7
    tert-butanol 19.89
    MTBE 75.31
    2-butoxyethanol 78.43
    propionic acid 29.97
    o-xylene 66.62
    formic acid 5.28
    diethyl ether 52.45
    m-xylene 50.47
    p-xylene 80.13
    chlorobenzene 124.35
    dimethyl carbonate 38.22
    n-octane 15.23
    formamide 12.54
    cyclopentanone 351.05
    2-pentanone 103.32
    anisole 95.61
    cyclopentyl methyl ether 217.55
    gamma-butyrolactone 313.97
    1-methoxy-2-propanol 37.86
    pyridine 144.23
    3-pentanone 113.77
    furfural 205.52
    n-dodecane 7.21
    diethylene glycol 12.38
    diisopropyl ether 46.14
    tert-amyl alcohol 38.66
    acetylacetone 169.77
    n-hexadecane 9.14
    acetophenone 148.3
    methyl propionate 85.48
    isopentyl acetate 157.23
    trichloroethylene 514.99
    n-nonanol 43.73
    cyclohexanol 61.89
    benzyl alcohol 36.52
    2-ethylhexanol 34.0
    isooctanol 39.66
    dipropyl ether 106.11
    1,2-dichlorobenzene 199.89
    ethyl lactate 48.9
    propylene carbonate 210.79
    n-methylformamide 25.88
    2-pentanol 16.59
    n-pentane 11.0
    1-propoxy-2-propanol 62.33
    1-methoxy-2-propyl acetate 150.13
    2-(2-methoxypropoxy) propanol 98.79
    mesitylene 48.06
    ε-caprolactone 341.01
    p-cymene 53.35
    epichlorohydrin 329.7
    1,1,1-trichloroethane 394.17
    2-aminoethanol 3.32
    morpholine-4-carbaldehyde 199.06
    sulfolane 630.42
    2,2,4-trimethylpentane 19.63
    2-methyltetrahydrofuran 270.06
    n-hexyl acetate 241.36
    isooctane 9.54
    2-(2-butoxyethoxy)ethanol 109.48
    sec-butyl acetate 135.78
    tert-butyl acetate 208.04
    decalin 42.77
    glycerin 5.43
    diglyme 314.31
    acrylic acid 22.1
    isopropyl myristate 83.1
    n-butyric acid 73.53
    acetyl acetate 100.86
    di(2-ethylhexyl) phthalate 59.0
    ethyl propionate 140.48
    nitromethane 80.74
    1,2-diethoxyethane 185.4
    benzonitrile 62.01
    trioctyl phosphate 43.87
    1-bromopropane 147.93
    gamma-valerolactone 398.93
    n-decanol 26.92
    triethyl phosphate 123.02
    4-methyl-2-pentanol 18.54
    propionitrile 25.86
    vinylene carbonate 145.08
    1,1,2-trichlorotrifluoroethane 198.54
    DMS 114.74
    cumene 43.05
    2-octanol 36.88
    2-hexanone 121.55
    octyl acetate 93.7
    limonene 101.28
    1,2-dimethoxyethane 135.57
    ethyl orthosilicate 125.58
    tributyl phosphate 66.01
    diacetone alcohol 124.85
    N,N-dimethylaniline 85.14
    acrylonitrile 25.55
    aniline 42.07
    1,3-propanediol 7.46
    bromobenzene 178.16
    dibromomethane 281.72
    1,1,2,2-tetrachloroethane 549.07
    2-methyl-cyclohexyl acetate 181.1
    tetrabutyl urea 109.34
    diisobutyl methanol 37.86
    2-phenylethanol 36.78
    styrene 58.44
    dioctyl adipate 145.93
    dimethyl sulfate 116.23
    ethyl butyrate 187.39
    methyl lactate 33.43
    butyl lactate 135.33
    diethyl carbonate 105.16
    propanediol butyl ether 53.69
    triethyl orthoformate 173.63
    p-tert-butyltoluene 50.01
    methyl 4-tert-butylbenzoate 204.38
    morpholine 119.74
    tert-butylamine 17.78
    n-dodecanol 18.52
    dimethoxymethane 61.28
    ethylene carbonate 131.09
    cyrene 116.66
    2-ethoxyethyl acetate 253.26
    2-ethylhexyl acetate 155.11
    1,2,4-trichlorobenzene 250.02
    4-methylpyridine 137.99
    dibutyl ether 147.08
    2,6-dimethyl-4-heptanol 37.86
    DEF 160.27
    dimethyl isosorbide 303.37
    tetrachloroethylene 316.55
    eugenol 122.42
    triacetin 265.0
    span 80 98.94
    1,4-butanediol 4.35
    1,1-dichloroethane 207.7
    2-methyl-1-pentanol 26.94
    methyl formate 22.8
    2-methyl-1-butanol 22.65
    n-decane 18.71
    butyronitrile 32.34
    3,7-dimethyl-1-octanol 50.08
    1-chlorooctane 81.19
    1-chlorotetradecane 23.32
    n-nonane 18.4
    undecane 10.66
    tert-butylcyclohexane 27.68
    cyclooctane 34.79
    cyclopentanol 54.84
    tetrahydropyran 188.56
    tert-amyl methyl ether 103.37
    2,5,8-trioxanonane 171.86
    1-hexene 34.66
    2-isopropoxyethanol 38.03
    2,2,2-trifluoroethanol 22.03
    methyl butyrate 188.48

    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