Isopropyl Behenate

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  • Identifiers

    CAS number
    26718-95-6

    Molecular formula
    C25H50O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 78.79%
    Fatty 70.56%
    Oily 56.72%
    Odorless 29.39%
    Creamy 29.24%
    Sweet 24.27%
    Dairy 22.93%
    Milky 19.45%
    Soapy 17.67%
    Buttery 17.41%

     

    Flavor
    Waxy 55.55%
    Fatty 44.73%
    Oily 42.64%
    Mild 42.28%
    Bland 35.02%
    Fat 32.48%
    Faint 31.29%
    Soapy 28.0%
    Coconut 27.35%
    Slightly waxy 25.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.5

    pKa est.
    7.96 (neutral)

    Molecular weight
    382.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point

    • 190.69 ˚C est.

  • Synonyms

    • Docosanoic acid, isopropyl ester
    • Isopropyl behenate
    • Isopropyl docosanoate
    • 26718-95-6
    • 1-Methylethyl docosanoate
    • 1BWO0L9BHI
    • Docosanoic acid, 1-methylethyl ester
    • DTXSID80181220
    • RefChem:1087673
    • DTXCID90103711
    • 247-922-1
    • propan-2-yl docosanoate
    • UNII-1BWO0L9BHI
    • EINECS 247-922-1
    • SCHEMBL1173030
    • NS00013785
    • Q27252205
    • 26718-95-6

  • Applications

    Chemical name: Isopropyl Behenate; CAS number: 26718-95-6. Isopropyl Behenate is widely used as an emollient oil in cosmetics and personal care formulations, providing slip and skin-conditioning properties; it also serves as a solvent and carrier for fragrance components in perfumery, helping to dissolve and distribute aroma ingredients. In household products, it can function as a conditioning additive and texture enhancer. In polymer and plastics applications, it can act as a plasticizer or processing aid in niche formulations, and in broader industrial formulations it may serve as a nonvolatile oil base or solvent under applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.76
    methanol 25.98
    isopropanol 32.22
    water 0.08
    ethyl acetate 334.87
    n-propanol 42.75
    acetone 173.84
    n-butanol 58.11
    acetonitrile 63.22
    DMF 272.33
    toluene 139.93
    isobutanol 56.55
    1,4-dioxane 323.5
    methyl acetate 194.89
    THF 856.5
    2-butanone 280.02
    n-pentanol 50.24
    sec-butanol 68.63
    n-hexane 51.92
    ethylene glycol 2.61
    NMP 1065.94
    cyclohexane 317.19
    DMSO 290.18
    n-butyl acetate 431.84
    n-octanol 105.49
    chloroform 1045.88
    n-propyl acetate 430.19
    acetic acid 85.66
    dichloromethane 1107.8
    cyclohexanone 1097.91
    propylene glycol 8.65
    isopropyl acetate 359.22
    DMAc 685.02
    2-ethoxyethanol 111.8
    isopentanol 91.56
    n-heptane 61.54
    ethyl formate 132.07
    1,2-dichloroethane 658.43
    n-hexanol 54.09
    2-methoxyethanol 102.24
    isobutyl acetate 320.99
    tetrachloromethane 313.63
    n-pentyl acetate 732.57
    transcutol 712.6
    n-heptanol 84.24
    ethylbenzene 121.36
    MIBK 341.77
    2-propoxyethanol 130.65
    tert-butanol 84.55
    MTBE 234.02
    2-butoxyethanol 209.37
    propionic acid 100.22
    o-xylene 151.01
    formic acid 15.44
    diethyl ether 171.46
    m-xylene 119.39
    p-xylene 204.11
    chlorobenzene 326.54
    dimethyl carbonate 79.14
    n-octane 33.84
    formamide 33.98
    cyclopentanone 975.07
    2-pentanone 319.94
    anisole 251.24
    cyclopentyl methyl ether 585.13
    gamma-butyrolactone 848.18
    1-methoxy-2-propanol 129.71
    pyridine 387.68
    3-pentanone 314.88
    furfural 530.71
    n-dodecane 16.39
    diethylene glycol 40.07
    diisopropyl ether 127.54
    tert-amyl alcohol 138.2
    acetylacetone 446.84
    n-hexadecane 21.08
    acetophenone 364.16
    methyl propionate 237.19
    isopentyl acetate 456.09
    trichloroethylene 1138.81
    n-nonanol 113.55
    cyclohexanol 231.0
    benzyl alcohol 112.43
    2-ethylhexanol 104.32
    isooctanol 104.89
    dipropyl ether 291.8
    1,2-dichlorobenzene 462.94
    ethyl lactate 134.29
    propylene carbonate 546.3
    n-methylformamide 84.01
    2-pentanol 65.19
    n-pentane 30.17
    1-propoxy-2-propanol 186.22
    1-methoxy-2-propyl acetate 374.92
    2-(2-methoxypropoxy) propanol 226.47
    mesitylene 112.28
    ε-caprolactone 964.48
    p-cymene 120.84
    epichlorohydrin 824.63
    1,1,1-trichloroethane 940.24
    2-aminoethanol 11.94
    morpholine-4-carbaldehyde 570.1
    sulfolane 1484.45
    2,2,4-trimethylpentane 41.73
    2-methyltetrahydrofuran 726.35
    n-hexyl acetate 627.46
    isooctane 21.35
    2-(2-butoxyethoxy)ethanol 276.67
    sec-butyl acetate 377.64
    tert-butyl acetate 531.52
    decalin 98.76
    glycerin 17.56
    diglyme 768.03
    acrylic acid 64.15
    isopropyl myristate 217.81
    n-butyric acid 253.81
    acetyl acetate 254.47
    di(2-ethylhexyl) phthalate 146.7
    ethyl propionate 385.71
    nitromethane 244.44
    1,2-diethoxyethane 455.61
    benzonitrile 192.87
    trioctyl phosphate 115.79
    1-bromopropane 400.91
    gamma-valerolactone 1108.68
    n-decanol 70.66
    triethyl phosphate 280.74
    4-methyl-2-pentanol 63.39
    propionitrile 89.74
    vinylene carbonate 386.48
    1,1,2-trichlorotrifluoroethane 474.88
    DMS 287.0
    cumene 98.83
    2-octanol 101.09
    2-hexanone 344.38
    octyl acetate 252.9
    limonene 254.85
    1,2-dimethoxyethane 440.37
    ethyl orthosilicate 278.75
    tributyl phosphate 168.04
    diacetone alcohol 329.3
    N,N-dimethylaniline 192.19
    acrylonitrile 85.69
    aniline 125.87
    1,3-propanediol 29.46
    bromobenzene 420.33
    dibromomethane 717.45
    1,1,2,2-tetrachloroethane 1173.81
    2-methyl-cyclohexyl acetate 459.54
    tetrabutyl urea 275.94
    diisobutyl methanol 98.56
    2-phenylethanol 109.74
    styrene 140.86
    dioctyl adipate 354.23
    dimethyl sulfate 228.84
    ethyl butyrate 499.29
    methyl lactate 84.05
    butyl lactate 341.94
    diethyl carbonate 270.93
    propanediol butyl ether 148.9
    triethyl orthoformate 416.45
    p-tert-butyltoluene 110.5
    methyl 4-tert-butylbenzoate 440.03
    morpholine 407.42
    tert-butylamine 73.41
    n-dodecanol 49.39
    dimethoxymethane 174.5
    ethylene carbonate 378.91
    cyrene 269.45
    2-ethoxyethyl acetate 588.75
    2-ethylhexyl acetate 443.96
    1,2,4-trichlorobenzene 535.63
    4-methylpyridine 411.74
    dibutyl ether 406.74
    2,6-dimethyl-4-heptanol 98.56
    DEF 489.9
    dimethyl isosorbide 609.12
    tetrachloroethylene 736.89
    eugenol 279.16
    triacetin 632.53
    span 80 244.45
    1,4-butanediol 14.84
    1,1-dichloroethane 539.35
    2-methyl-1-pentanol 84.74
    methyl formate 66.64
    2-methyl-1-butanol 88.26
    n-decane 42.91
    butyronitrile 122.35
    3,7-dimethyl-1-octanol 128.94
    1-chlorooctane 196.0
    1-chlorotetradecane 57.01
    n-nonane 42.72
    undecane 24.57
    tert-butylcyclohexane 64.94
    cyclooctane 76.52
    cyclopentanol 212.95
    tetrahydropyran 585.22
    tert-amyl methyl ether 280.54
    2,5,8-trioxanonane 398.29
    1-hexene 101.37
    2-isopropoxyethanol 121.35
    2,2,2-trifluoroethanol 59.86
    methyl butyrate 552.42

    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