Butyloctyl Behenate

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  • Identifiers

    CAS number
    916596-97-9

    Molecular formula
    C34H68O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.69%
    Fatty 61.07%
    Oily 51.65%
    Odorless 32.1%
    Creamy 21.59%
    Sweet 19.17%
    Balsamic 18.57%
    Dairy 18.01%
    Milky 17.39%
    Fruity 17.37%

     

    Flavor
    Waxy 53.03%
    Mild 39.94%
    Fatty 36.95%
    Bland 35.24%
    Oily 32.73%
    Faint 30.91%
    Alkane 27.96%
    Fat 26.98%
    Slightly waxy 24.95%
    Delicate 23.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.0

    pKa est.
    8.83 (weak base)

    Molecular weight
    508.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    532°C

    Flash point

    • 233.69 ˚C est.

  • Synonyms

    • Butyloctyl behenate
    • Mackester B-ob
    • UNII-2712V7RQMH
    • Docosanoic acid, 2-butyloctyl ester
    • 2712V7RQMH
    • 916596-97-9
    • RefChem:122319
    • BUTYLOCTYL BEHENATE [INCI]
    • SCHEMBL9933680
    • Q27254145
    • 916596-97-9

  • Applications

    Butyloctyl Behenate (CAS 916596-97-9) is commonly used as an emollient and skin-conditioning agent in cosmetics and personal care formulations, providing slip and a light, non-greasy feel. It also serves as a lipophilic solvent and carrier for active ingredients and fragrance oils. In polymers and coatings, it can function as a plasticizer and lubricant to improve flexibility and processability. In perfumery, it serves as a fragrance solvent/carrier, helping to dissolve and diffuse fragrance components. In household products, it can be used as an emollient and slip agent in cleaners and fabric-care products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.83
    methanol 45.35
    isopropanol 62.04
    water 0.6
    ethyl acetate 842.23
    n-propanol 83.4
    acetone 366.89
    n-butanol 103.76
    acetonitrile 141.85
    DMF 480.9
    toluene 325.6
    isobutanol 103.36
    1,4-dioxane 613.63
    methyl acetate 437.7
    THF 1349.06
    2-butanone 552.34
    n-pentanol 88.94
    sec-butanol 128.18
    n-hexane 100.51
    ethylene glycol 5.98
    NMP 1818.61
    cyclohexane 545.61
    DMSO 506.47
    n-butyl acetate 821.15
    n-octanol 192.5
    chloroform 1973.02
    n-propyl acetate 832.98
    acetic acid 199.65
    dichloromethane 2137.23
    cyclohexanone 1938.38
    propylene glycol 17.04
    isopropyl acetate 848.2
    DMAc 1234.7
    2-ethoxyethanol 182.29
    isopentanol 159.76
    n-heptane 114.38
    ethyl formate 269.36
    1,2-dichloroethane 1332.17
    n-hexanol 92.04
    2-methoxyethanol 171.86
    isobutyl acetate 570.06
    tetrachloromethane 660.46
    n-pentyl acetate 1484.25
    transcutol 1146.04
    n-heptanol 166.12
    ethylbenzene 237.81
    MIBK 628.35
    2-propoxyethanol 209.25
    tert-butanol 139.19
    MTBE 430.46
    2-butoxyethanol 389.0
    propionic acid 225.39
    o-xylene 334.98
    formic acid 37.37
    diethyl ether 348.31
    m-xylene 260.38
    p-xylene 385.46
    chlorobenzene 656.02
    dimethyl carbonate 249.76
    n-octane 66.22
    formamide 83.3
    cyclopentanone 1689.66
    2-pentanone 648.81
    anisole 417.67
    cyclopentyl methyl ether 1074.09
    gamma-butyrolactone 1657.81
    1-methoxy-2-propanol 219.93
    pyridine 751.39
    3-pentanone 639.61
    furfural 956.2
    n-dodecane 29.72
    diethylene glycol 67.92
    diisopropyl ether 260.3
    tert-amyl alcohol 241.6
    acetylacetone 1019.46
    n-hexadecane 37.49
    acetophenone 643.26
    methyl propionate 573.27
    isopentyl acetate 862.31
    trichloroethylene 2264.19
    n-nonanol 204.02
    cyclohexanol 411.07
    benzyl alcohol 185.3
    2-ethylhexanol 168.41
    isooctanol 211.93
    dipropyl ether 494.89
    1,2-dichlorobenzene 909.83
    ethyl lactate 251.0
    propylene carbonate 1107.68
    n-methylformamide 170.48
    2-pentanol 128.56
    n-pentane 69.0
    1-propoxy-2-propanol 306.37
    1-methoxy-2-propyl acetate 752.12
    2-(2-methoxypropoxy) propanol 353.1
    mesitylene 232.3
    ε-caprolactone 1821.37
    p-cymene 224.72
    epichlorohydrin 1527.49
    1,1,1-trichloroethane 1920.61
    2-aminoethanol 23.35
    morpholine-4-carbaldehyde 990.57
    sulfolane 2533.66
    2,2,4-trimethylpentane 86.84
    2-methyltetrahydrofuran 1324.12
    n-hexyl acetate 1147.67
    isooctane 42.7
    2-(2-butoxyethoxy)ethanol 433.65
    sec-butyl acetate 748.7
    tert-butyl acetate 1095.51
    decalin 170.11
    glycerin 33.58
    diglyme 1330.29
    acrylic acid 152.93
    isopropyl myristate 363.62
    n-butyric acid 537.0
    acetyl acetate 722.85
    di(2-ethylhexyl) phthalate 249.79
    ethyl propionate 807.91
    nitromethane 549.55
    1,2-diethoxyethane 810.36
    benzonitrile 344.84
    trioctyl phosphate 200.68
    1-bromopropane 736.28
    gamma-valerolactone 2022.66
    n-decanol 121.66
    triethyl phosphate 495.68
    4-methyl-2-pentanol 117.11
    propionitrile 181.3
    vinylene carbonate 814.14
    1,1,2-trichlorotrifluoroethane 853.5
    DMS 621.15
    cumene 186.09
    2-octanol 202.38
    2-hexanone 593.54
    octyl acetate 425.48
    limonene 436.87
    1,2-dimethoxyethane 640.53
    ethyl orthosilicate 482.66
    tributyl phosphate 287.87
    diacetone alcohol 621.92
    N,N-dimethylaniline 326.11
    acrylonitrile 178.87
    aniline 253.36
    1,3-propanediol 57.35
    bromobenzene 880.82
    dibromomethane 1318.77
    1,1,2,2-tetrachloroethane 2122.48
    2-methyl-cyclohexyl acetate 723.49
    tetrabutyl urea 422.67
    diisobutyl methanol 169.4
    2-phenylethanol 170.85
    styrene 280.89
    dioctyl adipate 595.05
    dimethyl sulfate 597.21
    ethyl butyrate 915.02
    methyl lactate 194.69
    butyl lactate 648.29
    diethyl carbonate 511.19
    propanediol butyl ether 251.61
    triethyl orthoformate 726.3
    p-tert-butyltoluene 205.21
    methyl 4-tert-butylbenzoate 825.6
    morpholine 682.09
    tert-butylamine 115.63
    n-dodecanol 83.95
    dimethoxymethane 355.78
    ethylene carbonate 820.45
    cyrene 388.47
    2-ethoxyethyl acetate 1256.17
    2-ethylhexyl acetate 814.19
    1,2,4-trichlorobenzene 1094.82
    4-methylpyridine 781.56
    dibutyl ether 637.23
    2,6-dimethyl-4-heptanol 169.4
    DEF 935.55
    dimethyl isosorbide 956.38
    tetrachloroethylene 1415.11
    eugenol 470.66
    triacetin 1166.39
    span 80 376.73
    1,4-butanediol 29.09
    1,1-dichloroethane 1079.36
    2-methyl-1-pentanol 141.76
    methyl formate 149.72
    2-methyl-1-butanol 158.46
    n-decane 78.37
    butyronitrile 233.03
    3,7-dimethyl-1-octanol 226.04
    1-chlorooctane 329.06
    1-chlorotetradecane 96.14
    n-nonane 77.77
    undecane 43.87
    tert-butylcyclohexane 110.08
    cyclooctane 159.38
    cyclopentanol 352.22
    tetrahydropyran 1051.45
    tert-amyl methyl ether 497.14
    2,5,8-trioxanonane 625.19
    1-hexene 180.58
    2-isopropoxyethanol 197.01
    2,2,2-trifluoroethanol 161.47
    methyl butyrate 1040.39

    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