Isostearyl Behenate

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  • Identifiers

    CAS number
    125804-16-2

    Molecular formula
    C40H80O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 79.86%
    Fatty 58.19%
    Oily 45.91%
    Odorless 32.67%
    Creamy 18.19%
    Sweet 18.02%
    Fishy 16.52%
    Balsamic 16.08%
    Clean 15.27%
    Savory 15.14%

     

    Flavor
    Waxy 54.14%
    Mild 37.94%
    Bland 34.66%
    Alkane 33.2%
    Fatty 32.43%
    Oily 29.38%
    Faint 28.87%
    Slightly waxy 24.3%
    Fat 24.26%
    Delicate 22.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.2

    pKa est.
    10.37 (weak base)

    Molecular weight
    593.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    590°C

    Flash point

    • 274.85 ˚C est.

  • Synonyms

    • Isostearyl behenate
    • Pelemol ISB
    • Isostearyl behenate [INCI]
    • Docosanoic acid, isooctadecyl ester
    • UNII-NA95U012OW
    • NA95U012OW
    • DTXSID30154944
    • RefChem:149987
    • DTXCID0077435
    • 125804-16-2
    • 16-METHYLHEPTADECYL DOCOSANOATE
    • SCHEMBL151347
    • MNAKZOVRDUDCTC-UHFFFAOYSA-N
    • Q27284761
    • 125804-16-2

  • Applications

    Isostearyl Behenate (CAS 125804-16-2) is a high-molecular-weight fatty ester commonly used as an emollient and skin-conditioning ingredient in cosmetics and personal care, providing slip and a light, non-greasy feel. It may be used as a carrier and solvent for fragrance oils in perfumery, supporting fragrance delivery. In coatings and inks, it can serve as a plasticizer and lubricating additive to improve texture, gloss, and processing. In polymers and plastics, it is used as a processing aid or plasticizer to enhance flexibility and formulation compatibility. In industrial manufacturing, it may act as a lubricating oil component or slip agent in various formulation systems, helping reduce friction during processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.3
    methanol 3.44
    isopropanol 3.64
    water 0.04
    ethyl acetate 74.21
    n-propanol 6.47
    acetone 31.31
    n-butanol 8.18
    acetonitrile 9.35
    DMF 47.05
    toluene 38.25
    isobutanol 7.45
    1,4-dioxane 68.39
    methyl acetate 39.92
    THF 201.24
    2-butanone 57.81
    n-pentanol 9.8
    sec-butanol 9.49
    n-hexane 11.29
    ethylene glycol 0.45
    NMP 299.49
    cyclohexane 51.21
    DMSO 56.93
    n-butyl acetate 98.83
    n-octanol 25.4
    chloroform 319.05
    n-propyl acetate 91.24
    acetic acid 17.99
    dichloromethane 301.14
    cyclohexanone 255.49
    propylene glycol 1.48
    isopropyl acetate 84.24
    DMAc 169.72
    2-ethoxyethanol 23.12
    isopentanol 12.91
    n-heptane 14.75
    ethyl formate 27.67
    1,2-dichloroethane 159.78
    n-hexanol 10.2
    2-methoxyethanol 17.71
    isobutyl acetate 70.03
    tetrachloromethane 84.06
    n-pentyl acetate 199.47
    transcutol 213.08
    n-heptanol 20.24
    ethylbenzene 35.8
    MIBK 69.09
    2-propoxyethanol 28.73
    tert-butanol 9.81
    MTBE 44.14
    2-butoxyethanol 56.49
    propionic acid 19.16
    o-xylene 43.49
    formic acid 3.62
    diethyl ether 29.49
    m-xylene 33.95
    p-xylene 52.64
    chlorobenzene 86.37
    dimethyl carbonate 25.14
    n-octane 8.85
    formamide 7.34
    cyclopentanone 240.4
    2-pentanone 62.66
    anisole 63.45
    cyclopentyl methyl ether 142.22
    gamma-butyrolactone 229.68
    1-methoxy-2-propanol 23.24
    pyridine 95.29
    3-pentanone 72.95
    furfural 155.51
    n-dodecane 4.18
    diethylene glycol 8.65
    diisopropyl ether 27.1
    tert-amyl alcohol 22.49
    acetylacetone 117.96
    n-hexadecane 5.3
    acetophenone 102.72
    methyl propionate 55.3
    isopentyl acetate 115.09
    trichloroethylene 333.1
    n-nonanol 30.28
    cyclohexanol 36.2
    benzyl alcohol 24.98
    2-ethylhexanol 22.66
    isooctanol 27.83
    dipropyl ether 70.4
    1,2-dichlorobenzene 133.56
    ethyl lactate 33.77
    propylene carbonate 156.39
    n-methylformamide 15.72
    2-pentanol 9.78
    n-pentane 5.81
    1-propoxy-2-propanol 43.8
    1-methoxy-2-propyl acetate 112.7
    2-(2-methoxypropoxy) propanol 77.63
    mesitylene 31.53
    ε-caprolactone 255.41
    p-cymene 39.08
    epichlorohydrin 222.49
    1,1,1-trichloroethane 250.56
    2-aminoethanol 2.03
    morpholine-4-carbaldehyde 136.06
    sulfolane 439.0
    2,2,4-trimethylpentane 11.84
    2-methyltetrahydrofuran 171.7
    n-hexyl acetate 170.37
    isooctane 5.4
    2-(2-butoxyethoxy)ethanol 82.32
    sec-butyl acetate 93.73
    tert-butyl acetate 144.76
    decalin 24.31
    glycerin 3.54
    diglyme 242.71
    acrylic acid 14.34
    isopropyl myristate 58.14
    n-butyric acid 49.52
    acetyl acetate 71.35
    di(2-ethylhexyl) phthalate 45.32
    ethyl propionate 97.7
    nitromethane 52.42
    1,2-diethoxyethane 125.72
    benzonitrile 41.87
    trioctyl phosphate 31.54
    1-bromopropane 87.63
    gamma-valerolactone 304.92
    n-decanol 17.79
    triethyl phosphate 97.05
    4-methyl-2-pentanol 11.42
    propionitrile 14.86
    vinylene carbonate 110.48
    1,1,2-trichlorotrifluoroethane 145.71
    DMS 82.24
    cumene 28.87
    2-octanol 24.28
    2-hexanone 78.72
    octyl acetate 63.41
    limonene 69.71
    1,2-dimethoxyethane 91.04
    ethyl orthosilicate 96.19
    tributyl phosphate 47.93
    diacetone alcohol 81.84
    N,N-dimethylaniline 57.78
    acrylonitrile 15.19
    aniline 27.55
    1,3-propanediol 4.71
    bromobenzene 124.11
    dibromomethane 175.84
    1,1,2,2-tetrachloroethane 344.32
    2-methyl-cyclohexyl acetate 140.08
    tetrabutyl urea 75.73
    diisobutyl methanol 24.25
    2-phenylethanol 26.22
    styrene 37.72
    dioctyl adipate 104.58
    dimethyl sulfate 81.77
    ethyl butyrate 140.2
    methyl lactate 22.7
    butyl lactate 102.21
    diethyl carbonate 79.42
    propanediol butyl ether 38.46
    triethyl orthoformate 138.65
    p-tert-butyltoluene 36.32
    methyl 4-tert-butylbenzoate 166.42
    morpholine 78.24
    tert-butylamine 9.09
    n-dodecanol 11.74
    dimethoxymethane 38.35
    ethylene carbonate 99.75
    cyrene 92.36
    2-ethoxyethyl acetate 190.88
    2-ethylhexyl acetate 117.78
    1,2,4-trichlorobenzene 176.77
    4-methylpyridine 94.1
    dibutyl ether 99.36
    2,6-dimethyl-4-heptanol 24.25
    DEF 101.3
    dimethyl isosorbide 238.51
    tetrachloroethylene 199.69
    eugenol 91.48
    triacetin 212.15
    span 80 72.53
    1,4-butanediol 2.81
    1,1-dichloroethane 121.85
    2-methyl-1-pentanol 17.52
    methyl formate 14.79
    2-methyl-1-butanol 14.2
    n-decane 11.31
    butyronitrile 18.85
    3,7-dimethyl-1-octanol 33.84
    1-chlorooctane 49.94
    1-chlorotetradecane 14.14
    n-nonane 10.76
    undecane 6.26
    tert-butylcyclohexane 16.75
    cyclooctane 18.38
    cyclopentanol 31.64
    tetrahydropyran 117.01
    tert-amyl methyl ether 65.61
    2,5,8-trioxanonane 125.87
    1-hexene 21.35
    2-isopropoxyethanol 24.93
    2,2,2-trifluoroethanol 14.98
    methyl butyrate 125.87

    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