Oleyl behenate

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  • Identifiers

    CAS number
    66161-52-2

    Molecular formula
    C40H78O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.5%
    Fatty 64.1%
    Oily 51.7%
    Odorless 29.56%
    Sweet 21.16%
    Creamy 18.63%
    Fishy 16.93%
    Balsamic 15.73%
    Dairy 15.55%
    Savory 15.37%

     

    Flavor
    Waxy 49.36%
    Mild 32.72%
    Bland 30.61%
    Alkane 30.22%
    Fatty 29.69%
    Faint 29.57%
    Oily 23.95%
    Slightly waxy 23.23%
    Delicate 21.63%
    Bay oil 20.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.6

    pKa est.
    9.73 (weak base)

    Molecular weight
    591.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    619°C

    Flash point

    • 272.68 ˚C est.

  • Synonyms

    • Oleyl behenate
    • 9Z-octadecenyl docosanoate
    • 3CNO1063QQ
    • EINECS 266-186-2
    • Docosanoic acid, (9Z)-9-octadecen-1-yl ester
    • Docosanoic acid, (9Z)-9-octadecenyl ester
    • WE(18:1(9Z)/22:0)
    • RefChem:856560
    • 66161-52-2
    • [(Z)-octadec-9-enyl] docosanoate
    • (Z)-Octadec-9-enyl docosanoate
    • UNII-3CNO1063QQ
    • (9Z)-OCTADEC-9-EN-1-YL DOCOSANOATE
    • SCHEMBL150251
    • DTXSID30886798
    • AOXNDJKHXBKZBT-ZZEZOPTASA-N
    • CHEBI:165697
    • (9Z)-9-Octadecen-1-yl docosanoate
    • (Z)-octadec-9-en-1-yl docosanoate
    • LMFA07010173
    • NS00055062
    • Q27257038
    • 66161-52-2

  • Applications

    Oleyl behenate (CAS 66161-52-2) is a long-chain wax ester commonly used in cosmetic and personal care formulations as an emollient and texture enhancer, providing slip and a light, non-greasy feel in creams, lotions, and lip products. It is also used as a processing aid and lubricant in the polymers/plastics sector, helping with handling, processing, and film formation. In coatings and inks, oleyl behenate can act as a wax additive to adjust rheology, gloss, and print release. Additionally, it may be used in household products to impart moisturising properties and a stable, cohesive texture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.01
    methanol 2.91
    isopropanol 3.57
    water 0.03
    ethyl acetate 69.0
    n-propanol 6.11
    acetone 29.2
    n-butanol 8.05
    acetonitrile 8.65
    DMF 43.53
    toluene 40.55
    isobutanol 7.04
    1,4-dioxane 66.15
    methyl acetate 36.32
    THF 185.97
    2-butanone 52.95
    n-pentanol 9.82
    sec-butanol 9.46
    n-hexane 14.82
    ethylene glycol 0.38
    NMP 272.17
    cyclohexane 61.48
    DMSO 56.77
    n-butyl acetate 88.66
    n-octanol 24.84
    chloroform 276.13
    n-propyl acetate 81.86
    acetic acid 14.97
    dichloromethane 272.13
    cyclohexanone 228.3
    propylene glycol 1.27
    isopropyl acetate 74.33
    DMAc 164.28
    2-ethoxyethanol 21.31
    isopentanol 12.51
    n-heptane 18.69
    ethyl formate 23.6
    1,2-dichloroethane 155.23
    n-hexanol 10.33
    2-methoxyethanol 15.36
    isobutyl acetate 60.48
    tetrachloromethane 78.39
    n-pentyl acetate 173.42
    transcutol 183.71
    n-heptanol 19.92
    ethylbenzene 39.73
    MIBK 62.5
    2-propoxyethanol 25.99
    tert-butanol 9.47
    MTBE 44.82
    2-butoxyethanol 51.65
    propionic acid 17.01
    o-xylene 46.29
    formic acid 2.97
    diethyl ether 30.93
    m-xylene 35.18
    p-xylene 53.9
    chlorobenzene 79.81
    dimethyl carbonate 24.13
    n-octane 11.38
    formamide 6.07
    cyclopentanone 207.66
    2-pentanone 59.75
    anisole 62.63
    cyclopentyl methyl ether 137.3
    gamma-butyrolactone 190.86
    1-methoxy-2-propanol 21.19
    pyridine 89.3
    3-pentanone 72.21
    furfural 127.22
    n-dodecane 5.36
    diethylene glycol 7.51
    diisopropyl ether 29.0
    tert-amyl alcohol 21.54
    acetylacetone 102.83
    n-hexadecane 6.76
    acetophenone 93.82
    methyl propionate 52.77
    isopentyl acetate 99.81
    trichloroethylene 292.82
    n-nonanol 29.56
    cyclohexanol 35.07
    benzyl alcohol 23.12
    2-ethylhexanol 23.13
    isooctanol 26.45
    dipropyl ether 72.39
    1,2-dichlorobenzene 123.15
    ethyl lactate 30.15
    propylene carbonate 129.05
    n-methylformamide 13.66
    2-pentanol 10.0
    n-pentane 7.43
    1-propoxy-2-propanol 39.65
    1-methoxy-2-propyl acetate 96.09
    2-(2-methoxypropoxy) propanol 69.47
    mesitylene 32.96
    ε-caprolactone 225.3
    p-cymene 38.96
    epichlorohydrin 196.02
    1,1,1-trichloroethane 232.76
    2-aminoethanol 1.77
    morpholine-4-carbaldehyde 120.52
    sulfolane 372.72
    2,2,4-trimethylpentane 14.38
    2-methyltetrahydrofuran 164.02
    n-hexyl acetate 157.43
    isooctane 6.4
    2-(2-butoxyethoxy)ethanol 72.48
    sec-butyl acetate 85.33
    tert-butyl acetate 124.84
    decalin 31.41
    glycerin 3.01
    diglyme 207.78
    acrylic acid 12.45
    isopropyl myristate 56.06
    n-butyric acid 42.08
    acetyl acetate 64.83
    di(2-ethylhexyl) phthalate 41.86
    ethyl propionate 87.83
    nitromethane 43.11
    1,2-diethoxyethane 122.9
    benzonitrile 37.31
    trioctyl phosphate 30.31
    1-bromopropane 89.8
    gamma-valerolactone 245.95
    n-decanol 17.95
    triethyl phosphate 88.23
    4-methyl-2-pentanol 11.15
    propionitrile 14.33
    vinylene carbonate 89.87
    1,1,2-trichlorotrifluoroethane 123.07
    DMS 74.39
    cumene 31.59
    2-octanol 23.47
    2-hexanone 74.83
    octyl acetate 61.26
    limonene 71.33
    1,2-dimethoxyethane 80.04
    ethyl orthosilicate 89.57
    tributyl phosphate 44.39
    diacetone alcohol 67.36
    N,N-dimethylaniline 60.54
    acrylonitrile 13.99
    aniline 25.87
    1,3-propanediol 4.14
    bromobenzene 115.77
    dibromomethane 166.94
    1,1,2,2-tetrachloroethane 324.1
    2-methyl-cyclohexyl acetate 126.98
    tetrabutyl urea 74.31
    diisobutyl methanol 24.49
    2-phenylethanol 23.81
    styrene 40.74
    dioctyl adipate 96.32
    dimethyl sulfate 74.18
    ethyl butyrate 123.66
    methyl lactate 20.44
    butyl lactate 86.14
    diethyl carbonate 70.55
    propanediol butyl ether 33.29
    triethyl orthoformate 124.4
    p-tert-butyltoluene 36.55
    methyl 4-tert-butylbenzoate 138.36
    morpholine 71.59
    tert-butylamine 9.05
    n-dodecanol 12.38
    dimethoxymethane 35.7
    ethylene carbonate 82.18
    cyrene 80.95
    2-ethoxyethyl acetate 168.38
    2-ethylhexyl acetate 104.78
    1,2,4-trichlorobenzene 159.84
    4-methylpyridine 87.67
    dibutyl ether 102.19
    2,6-dimethyl-4-heptanol 24.49
    DEF 95.18
    dimethyl isosorbide 205.42
    tetrachloroethylene 187.67
    eugenol 79.36
    triacetin 179.88
    span 80 65.87
    1,4-butanediol 2.61
    1,1-dichloroethane 117.89
    2-methyl-1-pentanol 17.52
    methyl formate 12.57
    2-methyl-1-butanol 13.6
    n-decane 14.09
    butyronitrile 17.78
    3,7-dimethyl-1-octanol 33.18
    1-chlorooctane 53.98
    1-chlorotetradecane 15.9
    n-nonane 13.51
    undecane 7.9
    tert-butylcyclohexane 20.63
    cyclooctane 24.73
    cyclopentanol 29.96
    tetrahydropyran 114.94
    tert-amyl methyl ether 68.93
    2,5,8-trioxanonane 115.19
    1-hexene 24.44
    2-isopropoxyethanol 22.87
    2,2,2-trifluoroethanol 12.07
    methyl butyrate 109.95

    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