Octyldodecyl Behenate

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  • Identifiers

    CAS number
    125804-08-2

    Molecular formula
    C42H84O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 77.99%
    Fatty 58.93%
    Oily 47.63%
    Odorless 32.03%
    Creamy 18.36%
    Fishy 17.18%
    Sweet 16.83%
    Balsamic 16.5%
    Savory 16.18%
    Clean 15.11%

     

    Flavor
    Waxy 51.67%
    Mild 37.03%
    Bland 35.27%
    Alkane 32.25%
    Fatty 30.81%
    Faint 29.09%
    Oily 26.51%
    Slightly waxy 24.02%
    Fat 22.94%
    Delicate 22.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    20.3

    pKa est.
    9.67 (weak base)

    Molecular weight
    621.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    606°C

    Flash point

    • 269.3 ˚C est.

  • Synonyms

    • Octyldodecyl behenate
    • Docosanoic acid, 2-octyldodecyl ester
    • Pelemol 2022
    • Dermol 2022
    • 2-Octyldodecyl behenate
    • BZM9WE5P6F
    • 125804-08-2
    • UNII-BZM9WE5P6F
    • Octyldodecyl behenate [INCI]
    • RefChem:167912
    • SCHEMBL708656
    • Q27274985
    • 125804-08-2

  • Applications

    Octyldodecyl Behenate (CAS 125804-08-2) is a high-molecular-weight ester widely used in cosmetics and personal care as an emollient and slip agent, providing a smooth texture and easy spread in creams, lotions, makeup, and lip products while also serving as a carrier for fragrances and active ingredients. It is commonly used as an inert vehicle or solvent for topical actives in pharmaceutical topical formulations and as a conditioning/oil component in hair care products. In perfumery, it functions as a fragrance carrier, helping dissolve and deliver aroma compounds in various formats. Additionally, it may act as a softening or plasticizing additive in certain polymer or coating formulations where a lubricious, high-MW ester is advantageous. Formulation and use should comply with local regulations and product-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.62
    methanol 18.03
    isopropanol 22.03
    water 0.32
    ethyl acetate 381.53
    n-propanol 34.73
    acetone 157.03
    n-butanol 41.4
    acetonitrile 55.96
    DMF 216.33
    toluene 167.14
    isobutanol 40.81
    1,4-dioxane 283.56
    methyl acetate 201.52
    THF 687.74
    2-butanone 263.97
    n-pentanol 41.04
    sec-butanol 51.86
    n-hexane 48.02
    ethylene glycol 2.57
    NMP 987.98
    cyclohexane 219.89
    DMSO 236.15
    n-butyl acetate 381.02
    n-octanol 91.38
    chloroform 1038.56
    n-propyl acetate 381.38
    acetic acid 95.42
    dichloromethane 1076.91
    cyclohexanone 936.61
    propylene glycol 7.49
    isopropyl acetate 376.06
    DMAc 618.23
    2-ethoxyethanol 86.69
    isopentanol 60.13
    n-heptane 55.46
    ethyl formate 126.46
    1,2-dichloroethane 616.11
    n-hexanol 41.33
    2-methoxyethanol 75.37
    isobutyl acetate 262.96
    tetrachloromethane 327.09
    n-pentyl acetate 703.15
    transcutol 560.01
    n-heptanol 77.34
    ethylbenzene 128.34
    MIBK 268.82
    2-propoxyethanol 101.16
    tert-butanol 49.45
    MTBE 186.03
    2-butoxyethanol 192.57
    propionic acid 102.64
    o-xylene 169.93
    formic acid 18.56
    diethyl ether 147.9
    m-xylene 133.74
    p-xylene 197.03
    chlorobenzene 340.57
    dimethyl carbonate 130.91
    n-octane 32.95
    formamide 38.74
    cyclopentanone 871.93
    2-pentanone 287.4
    anisole 217.63
    cyclopentyl methyl ether 526.1
    gamma-butyrolactone 871.1
    1-methoxy-2-propanol 96.2
    pyridine 390.76
    3-pentanone 308.29
    furfural 524.5
    n-dodecane 14.8
    diethylene glycol 31.69
    diisopropyl ether 113.46
    tert-amyl alcohol 100.37
    acetylacetone 483.94
    n-hexadecane 18.52
    acetophenone 339.8
    methyl propionate 273.11
    isopentyl acetate 402.07
    trichloroethylene 1153.1
    n-nonanol 102.32
    cyclohexanol 173.14
    benzyl alcohol 93.29
    2-ethylhexanol 79.1
    isooctanol 101.58
    dipropyl ether 242.44
    1,2-dichlorobenzene 469.57
    ethyl lactate 124.84
    propylene carbonate 585.21
    n-methylformamide 78.25
    2-pentanol 49.97
    n-pentane 29.11
    1-propoxy-2-propanol 148.95
    1-methoxy-2-propyl acetate 372.95
    2-(2-methoxypropoxy) propanol 190.12
    mesitylene 114.83
    ε-caprolactone 950.99
    p-cymene 122.54
    epichlorohydrin 785.85
    1,1,1-trichloroethane 947.52
    2-aminoethanol 10.16
    morpholine-4-carbaldehyde 474.71
    sulfolane 1382.59
    2,2,4-trimethylpentane 42.74
    2-methyltetrahydrofuran 661.28
    n-hexyl acetate 562.26
    isooctane 19.28
    2-(2-butoxyethoxy)ethanol 220.69
    sec-butyl acetate 360.27
    tert-butyl acetate 524.21
    decalin 81.95
    glycerin 15.74
    diglyme 664.97
    acrylic acid 74.31
    isopropyl myristate 181.56
    n-butyric acid 241.33
    acetyl acetate 338.12
    di(2-ethylhexyl) phthalate 134.22
    ethyl propionate 394.95
    nitromethane 250.64
    1,2-diethoxyethane 385.61
    benzonitrile 168.02
    trioctyl phosphate 103.25
    1-bromopropane 351.14
    gamma-valerolactone 1043.46
    n-decanol 60.91
    triethyl phosphate 279.99
    4-methyl-2-pentanol 47.05
    propionitrile 79.26
    vinylene carbonate 426.54
    1,1,2-trichlorotrifluoroethane 474.94
    DMS 314.76
    cumene 98.25
    2-octanol 92.74
    2-hexanone 294.79
    octyl acetate 212.14
    limonene 227.53
    1,2-dimethoxyethane 295.6
    ethyl orthosilicate 267.04
    tributyl phosphate 149.95
    diacetone alcohol 282.95
    N,N-dimethylaniline 180.52
    acrylonitrile 76.87
    aniline 122.74
    1,3-propanediol 23.14
    bromobenzene 469.79
    dibromomethane 657.53
    1,1,2,2-tetrachloroethane 1091.22
    2-methyl-cyclohexyl acetate 391.49
    tetrabutyl urea 216.84
    diisobutyl methanol 79.74
    2-phenylethanol 87.15
    styrene 145.88
    dioctyl adipate 303.55
    dimethyl sulfate 336.27
    ethyl butyrate 460.69
    methyl lactate 100.87
    butyl lactate 334.28
    diethyl carbonate 264.38
    propanediol butyl ether 120.76
    triethyl orthoformate 401.88
    p-tert-butyltoluene 110.83
    methyl 4-tert-butylbenzoate 461.77
    morpholine 309.74
    tert-butylamine 42.09
    n-dodecanol 41.08
    dimethoxymethane 167.76
    ethylene carbonate 412.33
    cyrene 230.93
    2-ethoxyethyl acetate 637.93
    2-ethylhexyl acetate 396.35
    1,2,4-trichlorobenzene 595.22
    4-methylpyridine 384.78
    dibutyl ether 308.5
    2,6-dimethyl-4-heptanol 79.74
    DEF 428.56
    dimethyl isosorbide 554.21
    tetrachloroethylene 710.78
    eugenol 252.49
    triacetin 624.45
    span 80 196.45
    1,4-butanediol 13.2
    1,1-dichloroethane 506.91
    2-methyl-1-pentanol 66.74
    methyl formate 73.44
    2-methyl-1-butanol 67.39
    n-decane 39.26
    butyronitrile 95.01
    3,7-dimethyl-1-octanol 108.11
    1-chlorooctane 163.8
    1-chlorotetradecane 46.73
    n-nonane 38.32
    undecane 21.96
    tert-butylcyclohexane 55.43
    cyclooctane 75.66
    cyclopentanol 153.02
    tetrahydropyran 491.93
    tert-amyl methyl ether 237.97
    2,5,8-trioxanonane 328.07
    1-hexene 88.92
    2-isopropoxyethanol 88.92
    2,2,2-trifluoroethanol 78.5
    methyl butyrate 486.22

    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