16-Methylheptadecyl (Z)-docos-13-enoate

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  • Identifiers

    CAS number
    97259-85-3

    Molecular formula
    C40H78O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.55%
    Fatty 62.01%
    Oily 49.9%
    Odorless 29.78%
    Sweet 20.48%
    Creamy 18.2%
    Fishy 17.62%
    Balsamic 17.58%
    Savory 15.85%
    Clean 14.89%

     

    Flavor
    Waxy 44.42%
    Mild 31.51%
    Bland 31.21%
    Faint 30.22%
    Fatty 27.28%
    Alkane 25.92%
    Oily 24.1%
    Slightly waxy 23.03%
    Delicate 22.02%
    Bay oil 20.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.3

    pKa est.
    9.78 (weak base)

    Molecular weight
    591.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    603°C

    Flash point

    • 265.2 ˚C est.

  • Synonyms

    • 16-Methylheptadecyl (Z)-docos-13-enoate
    • EINECS 306-449-1
    • 97259-85-3
    • SCHEMBL27507465
    • BDYMKXOJTJMBDU-QXMHVHEDSA-N
    • DTXSID601021217
    • 16-Methylheptadecyl(Z)-docos-13-enoate
    • NS00013798
    • 97259-85-3

  • Applications

    16-Methylheptadecyl (Z)-docos-13-enoate (CAS 97259-85-3) is a long-chain wax ester commonly used as an emollient and conditioning agent in cosmetics and personal care formulations, providing slip, gloss and softening of skin and hair. It is often evaluated as a fragrance fixative or carrier in perfumery due to its waxy, high-melting nature, helping extend fragrance longevity. In coatings, inks and polishes, it can function as a slip additive or low-temperature plasticizer to improve processing, tactile feel and appearance. In polymers and plastics processing, it may serve as a secondary plasticizer or processing aid to enhance flexibility and compatibility with wax blends. It also finds use in household products such as surface polishes and cleaners to impart gloss and lubricity. Its exact role depends on formulation, regulatory status and product claims.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.69
    methanol 3.15
    isopropanol 4.22
    water 0.02
    ethyl acetate 77.78
    n-propanol 7.2
    acetone 31.88
    n-butanol 9.99
    acetonitrile 8.59
    DMF 41.03
    toluene 46.98
    isobutanol 8.43
    1,4-dioxane 72.17
    methyl acetate 38.39
    THF 206.19
    2-butanone 58.96
    n-pentanol 11.66
    sec-butanol 11.13
    n-hexane 15.4
    ethylene glycol 0.34
    NMP 263.0
    cyclohexane 59.92
    DMSO 52.18
    n-butyl acetate 99.52
    n-octanol 27.42
    chloroform 302.11
    n-propyl acetate 91.08
    acetic acid 15.42
    dichloromethane 286.94
    cyclohexanone 247.72
    propylene glycol 1.29
    isopropyl acetate 87.83
    DMAc 158.43
    2-ethoxyethanol 23.74
    isopentanol 15.93
    n-heptane 19.0
    ethyl formate 24.89
    1,2-dichloroethane 161.87
    n-hexanol 12.25
    2-methoxyethanol 17.31
    isobutyl acetate 70.0
    tetrachloromethane 78.82
    n-pentyl acetate 192.23
    transcutol 220.08
    n-heptanol 22.57
    ethylbenzene 44.19
    MIBK 75.35
    2-propoxyethanol 30.06
    tert-butanol 11.3
    MTBE 52.47
    2-butoxyethanol 57.77
    propionic acid 17.31
    o-xylene 50.59
    formic acid 2.72
    diethyl ether 36.09
    m-xylene 40.48
    p-xylene 59.06
    chlorobenzene 87.04
    dimethyl carbonate 22.47
    n-octane 10.94
    formamide 5.44
    cyclopentanone 217.97
    2-pentanone 70.1
    anisole 71.12
    cyclopentyl methyl ether 153.58
    gamma-butyrolactone 191.25
    1-methoxy-2-propanol 24.53
    pyridine 94.14
    3-pentanone 77.1
    furfural 125.64
    n-dodecane 5.26
    diethylene glycol 8.05
    diisopropyl ether 33.33
    tert-amyl alcohol 24.51
    acetylacetone 113.93
    n-hexadecane 6.65
    acetophenone 101.47
    methyl propionate 55.27
    isopentyl acetate 117.17
    trichloroethylene 314.06
    n-nonanol 33.09
    cyclohexanol 40.37
    benzyl alcohol 26.19
    2-ethylhexanol 26.53
    isooctanol 31.14
    dipropyl ether 81.12
    1,2-dichlorobenzene 132.65
    ethyl lactate 30.93
    propylene carbonate 130.73
    n-methylformamide 12.78
    2-pentanol 12.17
    n-pentane 7.82
    1-propoxy-2-propanol 46.43
    1-methoxy-2-propyl acetate 111.46
    2-(2-methoxypropoxy) propanol 78.22
    mesitylene 36.32
    ε-caprolactone 244.08
    p-cymene 43.31
    epichlorohydrin 210.04
    1,1,1-trichloroethane 241.94
    2-aminoethanol 1.73
    morpholine-4-carbaldehyde 121.71
    sulfolane 357.53
    2,2,4-trimethylpentane 15.44
    2-methyltetrahydrofuran 183.33
    n-hexyl acetate 172.65
    isooctane 7.14
    2-(2-butoxyethoxy)ethanol 83.9
    sec-butyl acetate 96.49
    tert-butyl acetate 147.08
    decalin 32.14
    glycerin 2.9
    diglyme 235.06
    acrylic acid 12.01
    isopropyl myristate 60.62
    n-butyric acid 48.83
    acetyl acetate 67.17
    di(2-ethylhexyl) phthalate 44.62
    ethyl propionate 96.86
    nitromethane 43.22
    1,2-diethoxyethane 134.87
    benzonitrile 38.71
    trioctyl phosphate 31.91
    1-bromopropane 99.62
    gamma-valerolactone 269.13
    n-decanol 19.83
    triethyl phosphate 91.03
    4-methyl-2-pentanol 13.91
    propionitrile 14.47
    vinylene carbonate 85.91
    1,1,2-trichlorotrifluoroethane 126.37
    DMS 74.61
    cumene 35.03
    2-octanol 25.83
    2-hexanone 85.48
    octyl acetate 65.0
    limonene 79.19
    1,2-dimethoxyethane 87.77
    ethyl orthosilicate 95.26
    tributyl phosphate 46.63
    diacetone alcohol 80.11
    N,N-dimethylaniline 65.51
    acrylonitrile 13.69
    aniline 28.98
    1,3-propanediol 4.65
    bromobenzene 128.54
    dibromomethane 177.08
    1,1,2,2-tetrachloroethane 336.01
    2-methyl-cyclohexyl acetate 141.08
    tetrabutyl urea 75.51
    diisobutyl methanol 28.35
    2-phenylethanol 28.26
    styrene 44.78
    dioctyl adipate 103.44
    dimethyl sulfate 68.74
    ethyl butyrate 136.06
    methyl lactate 20.54
    butyl lactate 93.55
    diethyl carbonate 74.89
    propanediol butyl ether 37.56
    triethyl orthoformate 136.45
    p-tert-butyltoluene 40.6
    methyl 4-tert-butylbenzoate 153.96
    morpholine 80.88
    tert-butylamine 10.58
    n-dodecanol 13.38
    dimethoxymethane 38.23
    ethylene carbonate 80.88
    cyrene 86.23
    2-ethoxyethyl acetate 184.95
    2-ethylhexyl acetate 120.44
    1,2,4-trichlorobenzene 165.77
    4-methylpyridine 95.35
    dibutyl ether 113.19
    2,6-dimethyl-4-heptanol 28.35
    DEF 101.69
    dimethyl isosorbide 228.27
    tetrachloroethylene 189.01
    eugenol 83.95
    triacetin 192.53
    span 80 74.15
    1,4-butanediol 2.64
    1,1-dichloroethane 127.87
    2-methyl-1-pentanol 21.39
    methyl formate 11.57
    2-methyl-1-butanol 16.91
    n-decane 14.11
    butyronitrile 19.84
    3,7-dimethyl-1-octanol 38.13
    1-chlorooctane 56.21
    1-chlorotetradecane 16.38
    n-nonane 13.43
    undecane 7.85
    tert-butylcyclohexane 21.87
    cyclooctane 24.13
    cyclopentanol 32.26
    tetrahydropyran 129.3
    tert-amyl methyl ether 78.38
    2,5,8-trioxanonane 125.98
    1-hexene 27.68
    2-isopropoxyethanol 26.42
    2,2,2-trifluoroethanol 11.13
    methyl butyrate 119.95

    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