Behenyl Isostearate

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  • Identifiers

    CAS number
    181496-25-3

    Molecular formula
    C40H80O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(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.
    10.36 (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

    • 274.99 ˚C est.

  • Synonyms

    • behenyl isostearate
    • 181496-25-3
    • DTXSID301021701
    • RefChem:561205
    • DTXCID201506687
    • SCHEMBL29365157
    • 181496-25-3

  • Applications

    Behenyl Isostearate (CAS 181496-25-3) is a high-molecular-weight fatty ester used primarily in cosmetics and personal care as an emollient, slip agent, and thickening/texture modifier; in hair care formulations it provides conditioning and gloss; in skincare it acts as an occlusive emollient and texture enhancer; it is also used as a waxy additive to adjust viscosity, slip, and gloss in coatings, inks, and polymer formulations; and it may serve as an inert vehicle or processing aid in topical pharmaceutical products, subject to regulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.42
    methanol 3.57
    isopropanol 3.78
    water 0.04
    ethyl acetate 76.66
    n-propanol 6.69
    acetone 32.37
    n-butanol 8.47
    acetonitrile 9.68
    DMF 48.55
    toluene 39.25
    isobutanol 7.72
    1,4-dioxane 70.42
    methyl acetate 41.26
    THF 206.22
    2-butanone 59.61
    n-pentanol 10.09
    sec-butanol 9.83
    n-hexane 11.61
    ethylene glycol 0.47
    NMP 306.44
    cyclohexane 52.84
    DMSO 58.7
    n-butyl acetate 101.69
    n-octanol 26.14
    chloroform 327.35
    n-propyl acetate 94.17
    acetic acid 18.64
    dichloromethane 308.96
    cyclohexanone 262.47
    propylene glycol 1.53
    isopropyl acetate 86.97
    DMAc 174.2
    2-ethoxyethanol 23.79
    isopentanol 13.33
    n-heptane 15.18
    ethyl formate 28.59
    1,2-dichloroethane 164.12
    n-hexanol 10.5
    2-methoxyethanol 18.3
    isobutyl acetate 72.12
    tetrachloromethane 86.54
    n-pentyl acetate 205.28
    transcutol 217.72
    n-heptanol 20.85
    ethylbenzene 36.66
    MIBK 71.21
    2-propoxyethanol 29.53
    tert-butanol 10.16
    MTBE 45.51
    2-butoxyethanol 58.06
    propionic acid 19.81
    o-xylene 44.62
    formic acid 3.75
    diethyl ether 30.5
    m-xylene 34.8
    p-xylene 54.04
    chlorobenzene 88.56
    dimethyl carbonate 25.97
    n-octane 9.1
    formamide 7.61
    cyclopentanone 246.64
    2-pentanone 64.74
    anisole 65.06
    cyclopentyl methyl ether 146.07
    gamma-butyrolactone 235.82
    1-methoxy-2-propanol 23.96
    pyridine 97.85
    3-pentanone 75.23
    furfural 159.29
    n-dodecane 4.29
    diethylene glycol 8.9
    diisopropyl ether 27.91
    tert-amyl alcohol 23.24
    acetylacetone 121.3
    n-hexadecane 5.44
    acetophenone 105.35
    methyl propionate 57.07
    isopentyl acetate 118.34
    trichloroethylene 341.2
    n-nonanol 31.13
    cyclohexanol 37.38
    benzyl alcohol 25.65
    2-ethylhexanol 23.29
    isooctanol 28.64
    dipropyl ether 72.41
    1,2-dichlorobenzene 136.74
    ethyl lactate 34.71
    propylene carbonate 160.58
    n-methylformamide 16.24
    2-pentanol 10.11
    n-pentane 5.99
    1-propoxy-2-propanol 45.0
    1-methoxy-2-propyl acetate 115.65
    2-(2-methoxypropoxy) propanol 79.21
    mesitylene 32.31
    ε-caprolactone 262.55
    p-cymene 40.03
    epichlorohydrin 228.2
    1,1,1-trichloroethane 257.56
    2-aminoethanol 2.1
    morpholine-4-carbaldehyde 139.47
    sulfolane 449.31
    2,2,4-trimethylpentane 12.15
    2-methyltetrahydrofuran 176.53
    n-hexyl acetate 175.19
    isooctane 5.53
    2-(2-butoxyethoxy)ethanol 84.15
    sec-butyl acetate 96.47
    tert-butyl acetate 148.77
    decalin 24.9
    glycerin 3.65
    diglyme 248.36
    acrylic acid 14.84
    isopropyl myristate 59.64
    n-butyric acid 51.18
    acetyl acetate 73.49
    di(2-ethylhexyl) phthalate 46.35
    ethyl propionate 100.66
    nitromethane 54.18
    1,2-diethoxyethane 128.8
    benzonitrile 43.03
    trioctyl phosphate 32.36
    1-bromopropane 90.2
    gamma-valerolactone 312.85
    n-decanol 18.29
    triethyl phosphate 99.29
    4-methyl-2-pentanol 11.76
    propionitrile 15.37
    vinylene carbonate 113.58
    1,1,2-trichlorotrifluoroethane 149.43
    DMS 84.49
    cumene 29.6
    2-octanol 25.03
    2-hexanone 81.0
    octyl acetate 65.12
    limonene 71.4
    1,2-dimethoxyethane 93.54
    ethyl orthosilicate 98.34
    tributyl phosphate 49.17
    diacetone alcohol 84.24
    N,N-dimethylaniline 59.14
    acrylonitrile 15.68
    aniline 28.36
    1,3-propanediol 4.87
    bromobenzene 127.06
    dibromomethane 180.61
    1,1,2,2-tetrachloroethane 352.64
    2-methyl-cyclohexyl acetate 143.16
    tetrabutyl urea 77.54
    diisobutyl methanol 24.89
    2-phenylethanol 26.86
    styrene 38.67
    dioctyl adipate 107.15
    dimethyl sulfate 84.07
    ethyl butyrate 143.92
    methyl lactate 23.37
    butyl lactate 104.99
    diethyl carbonate 81.52
    propanediol butyl ether 39.52
    triethyl orthoformate 141.89
    p-tert-butyltoluene 37.16
    methyl 4-tert-butylbenzoate 170.08
    morpholine 80.59
    tert-butylamine 9.4
    n-dodecanol 12.07
    dimethoxymethane 39.57
    ethylene carbonate 102.64
    cyrene 94.21
    2-ethoxyethyl acetate 195.94
    2-ethylhexyl acetate 120.95
    1,2,4-trichlorobenzene 180.83
    4-methylpyridine 96.73
    dibutyl ether 101.94
    2,6-dimethyl-4-heptanol 24.89
    DEF 104.22
    dimethyl isosorbide 243.1
    tetrachloroethylene 204.97
    eugenol 93.54
    triacetin 217.09
    span 80 74.16
    1,4-butanediol 2.9
    1,1-dichloroethane 125.45
    2-methyl-1-pentanol 18.01
    methyl formate 15.31
    2-methyl-1-butanol 14.68
    n-decane 11.6
    butyronitrile 19.48
    3,7-dimethyl-1-octanol 34.71
    1-chlorooctane 51.28
    1-chlorotetradecane 14.51
    n-nonane 11.06
    undecane 6.43
    tert-butylcyclohexane 17.15
    cyclooctane 18.91
    cyclopentanol 32.64
    tetrahydropyran 120.65
    tert-amyl methyl ether 67.47
    2,5,8-trioxanonane 128.5
    1-hexene 21.96
    2-isopropoxyethanol 25.64
    2,2,2-trifluoroethanol 15.5
    methyl butyrate 129.76

    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