Cetyl Behenate

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  • Identifiers

    CAS number
    42233-11-4

    Molecular formula
    C38H76O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 79.49%
    Fatty 60.77%
    Oily 49.1%
    Odorless 32.47%
    Sweet 19.93%
    Creamy 19.51%
    Fishy 15.72%
    Clean 15.54%
    Dairy 15.09%
    Balsamic 15.06%

     

    Flavor
    Waxy 59.62%
    Mild 39.47%
    Alkane 36.73%
    Fatty 36.59%
    Bland 33.31%
    Oily 30.65%
    Faint 28.25%
    Fat 26.06%
    Slightly waxy 24.64%
    Wax 22.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.4

    pKa est.
    9.91 (weak base)

    Molecular weight
    565.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    585°C

    Flash point

    • 271.83 ˚C est.

  • Synonyms

    • Hexadecyl docosanoate
    • Palmityl behenate
    • cetyl behenate
    • Docosanoic acid, hexadecyl ester
    • hexadecanyl docosanoate
    • UNII-WFM51TRO3E
    • WFM51TRO3E
    • EINECS 255-727-8
    • DTXSID9068376
    • WE(16:0/22:0)
    • Behenic acid palmityl ester
    • RefChem:124708
    • CETYL BEHENATE [INCI]
    • DTXCID2040072
    • UEDYHQHDUXDFGA-UHFFFAOYSA-N
    • 42233-11-4
    • BEHENIC ACID PALMITYL ESTER CRYSTALLINE
    • Cetyl stearyl behenate
    • SCHEMBL148982
    • LMFA07010056
    • HY-165865
    • NS00019671
    • Q27292612
    • 42233-11-4

  • Applications

    Cetyl Behenate (CAS 42233-11-4) is a wax ester used primarily in cosmetics and personal care as an emollient and texture-enhancing ingredient, contributing slip and a smooth feel to creams, lotions, and makeup, and can also act as a thickener/structuring component in emulsions; it is commonly included in lip products to improve conditioning and feel; in hair care, it may function as a conditioning wax ingredient that supports slip and manageability; in coatings, inks, and polymer formulations, it can serve as a wax-like processing aid, lubricant, or rheology modifier to influence rheology and film formation; in fragrance formulations, it may be used as a waxy carrier for fragrance oils within formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.37
    methanol 4.15
    isopropanol 3.68
    water 0.07
    ethyl acetate 78.93
    n-propanol 6.62
    acetone 33.65
    n-butanol 8.19
    acetonitrile 11.29
    DMF 56.59
    toluene 37.36
    isobutanol 7.56
    1,4-dioxane 74.39
    methyl acetate 44.36
    THF 208.64
    2-butanone 60.8
    n-pentanol 9.74
    sec-butanol 9.75
    n-hexane 12.19
    ethylene glycol 0.61
    NMP 347.09
    cyclohexane 62.57
    DMSO 72.34
    n-butyl acetate 102.64
    n-octanol 27.73
    chloroform 322.54
    n-propyl acetate 98.38
    acetic acid 20.68
    dichloromethane 324.74
    cyclohexanone 275.17
    propylene glycol 1.73
    isopropyl acetate 86.17
    DMAc 198.6
    2-ethoxyethanol 24.55
    isopentanol 12.85
    n-heptane 16.65
    ethyl formate 30.82
    1,2-dichloroethane 177.47
    n-hexanol 10.29
    2-methoxyethanol 19.26
    isobutyl acetate 71.22
    tetrachloromethane 93.29
    n-pentyl acetate 215.89
    transcutol 217.21
    n-heptanol 21.9
    ethylbenzene 35.9
    MIBK 69.31
    2-propoxyethanol 29.2
    tert-butanol 10.28
    MTBE 44.77
    2-butoxyethanol 60.1
    propionic acid 22.17
    o-xylene 44.91
    formic acid 4.72
    diethyl ether 30.27
    m-xylene 33.04
    p-xylene 54.16
    chlorobenzene 86.83
    dimethyl carbonate 29.72
    n-octane 10.26
    formamide 9.75
    cyclopentanone 254.94
    2-pentanone 63.99
    anisole 64.15
    cyclopentyl methyl ether 144.78
    gamma-butyrolactone 253.36
    1-methoxy-2-propanol 24.22
    pyridine 101.7
    3-pentanone 77.25
    furfural 176.28
    n-dodecane 4.85
    diethylene glycol 9.47
    diisopropyl ether 27.79
    tert-amyl alcohol 23.59
    acetylacetone 123.23
    n-hexadecane 6.1
    acetophenone 107.86
    methyl propionate 59.55
    isopentyl acetate 113.97
    trichloroethylene 346.98
    n-nonanol 32.2
    cyclohexanol 38.3
    benzyl alcohol 25.83
    2-ethylhexanol 23.62
    isooctanol 28.65
    dipropyl ether 73.93
    1,2-dichlorobenzene 139.69
    ethyl lactate 37.72
    propylene carbonate 172.37
    n-methylformamide 19.32
    2-pentanol 9.66
    n-pentane 6.33
    1-propoxy-2-propanol 43.89
    1-methoxy-2-propyl acetate 111.28
    2-(2-methoxypropoxy) propanol 79.76
    mesitylene 32.27
    ε-caprolactone 270.42
    p-cymene 39.58
    epichlorohydrin 238.28
    1,1,1-trichloroethane 266.65
    2-aminoethanol 2.45
    morpholine-4-carbaldehyde 154.58
    sulfolane 510.1
    2,2,4-trimethylpentane 12.29
    2-methyltetrahydrofuran 177.96
    n-hexyl acetate 186.82
    isooctane 5.55
    2-(2-butoxyethoxy)ethanol 84.0
    sec-butyl acetate 96.76
    tert-butyl acetate 146.41
    decalin 26.78
    glycerin 4.38
    diglyme 254.39
    acrylic acid 17.17
    isopropyl myristate 61.87
    n-butyric acid 52.05
    acetyl acetate 78.54
    di(2-ethylhexyl) phthalate 48.1
    ethyl propionate 102.51
    nitromethane 62.13
    1,2-diethoxyethane 132.23
    benzonitrile 45.66
    trioctyl phosphate 34.37
    1-bromopropane 90.48
    gamma-valerolactone 321.71
    n-decanol 19.19
    triethyl phosphate 105.02
    4-methyl-2-pentanol 11.11
    propionitrile 17.23
    vinylene carbonate 128.08
    1,1,2-trichlorotrifluoroethane 160.45
    DMS 90.8
    cumene 29.28
    2-octanol 26.3
    2-hexanone 80.32
    octyl acetate 69.36
    limonene 71.61
    1,2-dimethoxyethane 98.75
    ethyl orthosilicate 101.38
    tributyl phosphate 52.55
    diacetone alcohol 82.91
    N,N-dimethylaniline 60.16
    acrylonitrile 18.05
    aniline 28.33
    1,3-propanediol 5.2
    bromobenzene 126.09
    dibromomethane 188.38
    1,1,2,2-tetrachloroethane 369.29
    2-methyl-cyclohexyl acetate 143.42
    tetrabutyl urea 84.66
    diisobutyl methanol 24.83
    2-phenylethanol 26.02
    styrene 38.57
    dioctyl adipate 113.02
    dimethyl sulfate 97.58
    ethyl butyrate 144.93
    methyl lactate 25.96
    butyl lactate 111.51
    diethyl carbonate 85.17
    propanediol butyl ether 41.15
    triethyl orthoformate 143.23
    p-tert-butyltoluene 36.63
    methyl 4-tert-butylbenzoate 167.7
    morpholine 83.93
    tert-butylamine 9.54
    n-dodecanol 12.93
    dimethoxymethane 41.32
    ethylene carbonate 112.25
    cyrene 96.2
    2-ethoxyethyl acetate 202.95
    2-ethylhexyl acetate 118.75
    1,2,4-trichlorobenzene 186.04
    4-methylpyridine 97.47
    dibutyl ether 105.78
    2,6-dimethyl-4-heptanol 24.83
    DEF 111.37
    dimethyl isosorbide 246.35
    tetrachloroethylene 221.92
    eugenol 99.52
    triacetin 225.79
    span 80 76.16
    1,4-butanediol 3.2
    1,1-dichloroethane 127.93
    2-methyl-1-pentanol 17.32
    methyl formate 18.03
    2-methyl-1-butanol 14.19
    n-decane 12.91
    butyronitrile 20.28
    3,7-dimethyl-1-octanol 34.91
    1-chlorooctane 55.71
    1-chlorotetradecane 15.53
    n-nonane 12.46
    undecane 7.23
    tert-butylcyclohexane 17.73
    cyclooctane 21.38
    cyclopentanol 34.83
    tetrahydropyran 123.14
    tert-amyl methyl ether 67.18
    2,5,8-trioxanonane 134.75
    1-hexene 21.4
    2-isopropoxyethanol 25.72
    2,2,2-trifluoroethanol 18.6
    methyl butyrate 135.15

    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