Behenyl Behenate

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  • Identifiers

    CAS number
    17671-27-1

    Molecular formula
    C44H88O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 80.78%
    Fatty 58.09%
    Oily 45.67%
    Odorless 32.18%
    Sweet 17.6%
    Creamy 17.05%
    Fishy 15.87%
    Savory 14.31%
    Clean 14.17%
    Balsamic 13.96%

     

    Flavor
    Waxy 57.9%
    Alkane 39.14%
    Mild 37.37%
    Bland 33.37%
    Fatty 32.09%
    Faint 27.16%
    Oily 26.52%
    Slightly waxy 23.97%
    Fat 23.27%
    Delicate 21.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.7

    pKa est.
    11.04 (strong base)

    Molecular weight
    649.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    630°C

    Flash point

    • 304.39 ˚C est.

  • Synonyms

    • Behenyl behenate
    • Docosyl docosanoate
    • Docosanoic acid, docosyl ester
    • docosanyl docosanoate
    • docosyl behenate
    • Pelemol BB
    • Starfol BB
    • UNII-K8NU647RJ0
    • K8NU647RJ0
    • EINECS 241-646-5
    • Behenic acid behenyl ester
    • DTXSID0066242
    • EC 241-646-5
    • WE(22:0/22:0)
    • RefChem:116886
    • BEHENYL BEHENATE [INCI]
    • DTXCID4035625
    • NJIMZDGGLTUCPX-UHFFFAOYSA-N
    • 17671-27-1
    • Behenic behenate
    • MFCD00053778
    • Docosanoic acid,docosyl ester
    • C44H88O2
    • SCHEMBL21352453
    • LMFA07010063
    • AKOS028110907
    • Docosyl docosanoate (Behenyl behenate)
    • HY-W288857
    • AS-60040
    • FD172182
    • CS-0333826
    • NS00001318
    • D92929
    • W-110461
    • Q27282094
    • 17671-27-1

  • Applications

    Behenyl Behenate is a high-molecular-weight wax ester commonly used in cosmetics and personal care as an emollient, thickener, and conditioning agent, helping to impart slip, glide, and a smooth texture to creams, lotions, lip products, and hair-care formulations; it also acts as a wax structuring component to help build stable, glossy emulsions. Beyond cosmetics, it can function as a lubricating additive or processing aid in polymer and plastics formulations; in coatings and inks it may serve as a wax modifier to improve gloss, rheology, and surface feel; and in household products it is used as a wax-based modifier in surface-care formulations and cleaners to enhance slip and tactile properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.93
    methanol 3.49
    isopropanol 3.15
    water 0.06
    ethyl acetate 65.31
    n-propanol 5.83
    acetone 27.56
    n-butanol 6.99
    acetonitrile 9.09
    DMF 48.18
    toluene 33.4
    isobutanol 6.38
    1,4-dioxane 63.24
    methyl acetate 36.99
    THF 176.69
    2-butanone 51.59
    n-pentanol 8.45
    sec-butanol 8.24
    n-hexane 10.12
    ethylene glycol 0.53
    NMP 303.91
    cyclohexane 47.2
    DMSO 59.85
    n-butyl acetate 83.86
    n-octanol 22.84
    chloroform 273.82
    n-propyl acetate 78.86
    acetic acid 17.94
    dichloromethane 268.01
    cyclohexanone 226.49
    propylene glycol 1.51
    isopropyl acetate 69.59
    DMAc 172.34
    2-ethoxyethanol 20.87
    isopentanol 10.38
    n-heptane 13.88
    ethyl formate 26.24
    1,2-dichloroethane 143.85
    n-hexanol 8.83
    2-methoxyethanol 16.29
    isobutyl acetate 56.77
    tetrachloromethane 77.93
    n-pentyl acetate 171.43
    transcutol 179.5
    n-heptanol 18.04
    ethylbenzene 31.19
    MIBK 55.31
    2-propoxyethanol 25.25
    tert-butanol 8.09
    MTBE 36.11
    2-butoxyethanol 50.96
    propionic acid 18.65
    o-xylene 38.57
    formic acid 4.17
    diethyl ether 25.01
    m-xylene 29.13
    p-xylene 45.37
    chlorobenzene 75.16
    dimethyl carbonate 26.81
    n-octane 8.49
    formamide 8.36
    cyclopentanone 217.19
    2-pentanone 52.6
    anisole 53.87
    cyclopentyl methyl ether 123.28
    gamma-butyrolactone 220.67
    1-methoxy-2-propanol 20.63
    pyridine 89.62
    3-pentanone 65.31
    furfural 154.94
    n-dodecane 4.06
    diethylene glycol 8.11
    diisopropyl ether 22.44
    tert-amyl alcohol 19.29
    acetylacetone 103.65
    n-hexadecane 5.07
    acetophenone 90.01
    methyl propionate 51.61
    isopentyl acetate 93.51
    trichloroethylene 288.09
    n-nonanol 26.95
    cyclohexanol 31.35
    benzyl alcohol 21.8
    2-ethylhexanol 19.68
    isooctanol 23.65
    dipropyl ether 59.86
    1,2-dichlorobenzene 117.14
    ethyl lactate 32.24
    propylene carbonate 148.5
    n-methylformamide 16.7
    2-pentanol 8.18
    n-pentane 5.3
    1-propoxy-2-propanol 37.47
    1-methoxy-2-propyl acetate 93.69
    2-(2-methoxypropoxy) propanol 67.58
    mesitylene 27.68
    ε-caprolactone 233.9
    p-cymene 33.47
    epichlorohydrin 202.83
    1,1,1-trichloroethane 218.53
    2-aminoethanol 2.14
    morpholine-4-carbaldehyde 133.2
    sulfolane 440.2
    2,2,4-trimethylpentane 10.47
    2-methyltetrahydrofuran 147.91
    n-hexyl acetate 150.81
    isooctane 4.6
    2-(2-butoxyethoxy)ethanol 71.23
    sec-butyl acetate 79.9
    tert-butyl acetate 119.2
    decalin 22.27
    glycerin 3.85
    diglyme 212.01
    acrylic acid 14.77
    isopropyl myristate 50.92
    n-butyric acid 43.73
    acetyl acetate 66.74
    di(2-ethylhexyl) phthalate 41.11
    ethyl propionate 84.39
    nitromethane 52.25
    1,2-diethoxyethane 109.29
    benzonitrile 38.82
    trioctyl phosphate 29.1
    1-bromopropane 74.48
    gamma-valerolactone 275.31
    n-decanol 15.99
    triethyl phosphate 90.18
    4-methyl-2-pentanol 9.15
    propionitrile 14.24
    vinylene carbonate 112.7
    1,1,2-trichlorotrifluoroethane 140.42
    DMS 78.78
    cumene 24.96
    2-octanol 21.48
    2-hexanone 66.1
    octyl acetate 56.56
    limonene 60.54
    1,2-dimethoxyethane 80.45
    ethyl orthosilicate 86.01
    tributyl phosphate 44.28
    diacetone alcohol 66.57
    N,N-dimethylaniline 51.41
    acrylonitrile 15.04
    aniline 24.5
    1,3-propanediol 4.43
    bromobenzene 107.47
    dibromomethane 154.82
    1,1,2,2-tetrachloroethane 310.7
    2-methyl-cyclohexyl acetate 120.86
    tetrabutyl urea 70.86
    diisobutyl methanol 20.17
    2-phenylethanol 22.03
    styrene 32.76
    dioctyl adipate 92.58
    dimethyl sulfate 87.9
    ethyl butyrate 119.78
    methyl lactate 23.01
    butyl lactate 92.75
    diethyl carbonate 70.86
    propanediol butyl ether 34.33
    triethyl orthoformate 121.05
    p-tert-butyltoluene 31.21
    methyl 4-tert-butylbenzoate 141.38
    morpholine 70.89
    tert-butylamine 7.45
    n-dodecanol 10.74
    dimethoxymethane 35.9
    ethylene carbonate 98.08
    cyrene 83.47
    2-ethoxyethyl acetate 170.81
    2-ethylhexyl acetate 97.89
    1,2,4-trichlorobenzene 158.79
    4-methylpyridine 82.89
    dibutyl ether 85.88
    2,6-dimethyl-4-heptanol 20.17
    DEF 92.09
    dimethyl isosorbide 209.97
    tetrachloroethylene 184.25
    eugenol 83.06
    triacetin 189.96
    span 80 63.36
    1,4-butanediol 2.74
    1,1-dichloroethane 105.1
    2-methyl-1-pentanol 14.53
    methyl formate 15.85
    2-methyl-1-butanol 11.84
    n-decane 10.72
    butyronitrile 16.55
    3,7-dimethyl-1-octanol 28.91
    1-chlorooctane 45.25
    1-chlorotetradecane 12.61
    n-nonane 10.31
    undecane 6.03
    tert-butylcyclohexane 14.78
    cyclooctane 17.79
    cyclopentanol 29.13
    tetrahydropyran 101.4
    tert-amyl methyl ether 56.26
    2,5,8-trioxanonane 112.53
    1-hexene 18.21
    2-isopropoxyethanol 21.48
    2,2,2-trifluoroethanol 15.93
    methyl butyrate 108.29

    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