Dihydroabietyl behenate

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  • Identifiers

    CAS number
    127036-29-7

    Molecular formula
    C42H78O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1(CCCC2(C1CCC3C2CCC(C3)C(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.54%
    Fatty 51.48%
    Oily 40.61%
    Woody 35.77%
    Balsamic 26.25%
    Odorless 25.53%
    Amber 24.93%
    Sandalwood 23.24%
    Animal 20.33%
    Creamy 19.35%

     

    Flavor
    Waxy 46.99%
    Mild 35.28%
    Fatty 29.7%
    Oily 28.84%
    Bland 27.53%
    Faint 24.95%
    Slightly waxy 23.41%
    Delicate 21.86%
    Beer 21.75%
    Balsam 21.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.8

    pKa est.
    -822.78 (strong acid)

    Molecular weight
    615.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    612°C

    Flash point

    • -4011.88 ˚C est.

  • Synonyms

    • Dihydroabietyl behenate
    • Pelemol HAB
    • Behenic acid, dihydroabietyl ester
    • 127036-29-7
    • UNII-4W62CL2H0O
    • 4W62CL2H0O
    • Docosanoic acid, (tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl ester
    • SCHEMBL29644235
    • Q27260584
    • 127036-29-7

  • Applications

    Dihydroabietyl behenate (CAS 127036-29-7) is a rosin-derived wax ester that is used primarily in cosmetics and personal care as an emollient and texture enhancer, delivering slip and a smooth glide in creams, lotions and balms. It also serves as a processing aid and wax modifier in polymer and plastic formulations, aiding processing and the end-use feel. In coatings and inks, it can function as a wax component to improve gloss and slip. It is commonly employed in adhesives and sealants as a tackifying or plasticizing additive and may appear in household products such as polishes and cleaners with a conditioning wax component. Its exact role is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.18
    methanol 17.92
    isopropanol 30.48
    water 0.37
    ethyl acetate 233.49
    n-propanol 53.9
    acetone 124.17
    n-butanol 59.66
    acetonitrile 37.24
    DMF 160.03
    toluene 197.83
    isobutanol 50.9
    1,4-dioxane 217.83
    methyl acetate 129.26
    THF 520.82
    2-butanone 185.82
    n-pentanol 50.51
    sec-butanol 50.22
    n-hexane 28.24
    ethylene glycol 2.77
    NMP 494.71
    cyclohexane 75.53
    DMSO 99.44
    n-butyl acetate 219.08
    n-octanol 52.63
    chloroform 574.56
    n-propyl acetate 177.33
    acetic acid 74.13
    dichloromethane 514.31
    cyclohexanone 468.58
    propylene glycol 6.73
    isopropyl acetate 228.76
    DMAc 358.44
    2-ethoxyethanol 77.48
    isopentanol 65.35
    n-heptane 26.59
    ethyl formate 83.6
    1,2-dichloroethane 319.34
    n-hexanol 56.86
    2-methoxyethanol 74.28
    isobutyl acetate 149.6
    tetrachloromethane 165.14
    n-pentyl acetate 297.17
    transcutol 335.14
    n-heptanol 65.9
    ethylbenzene 92.55
    MIBK 175.33
    2-propoxyethanol 126.77
    tert-butanol 38.17
    MTBE 114.87
    2-butoxyethanol 151.09
    propionic acid 76.22
    o-xylene 140.18
    formic acid 16.63
    diethyl ether 144.51
    m-xylene 136.37
    p-xylene 113.46
    chlorobenzene 288.02
    dimethyl carbonate 109.87
    n-octane 11.72
    formamide 27.31
    cyclopentanone 495.28
    2-pentanone 217.66
    anisole 156.08
    cyclopentyl methyl ether 357.55
    gamma-butyrolactone 502.56
    1-methoxy-2-propanol 95.03
    pyridine 266.73
    3-pentanone 222.21
    furfural 308.74
    n-dodecane 5.51
    diethylene glycol 37.64
    diisopropyl ether 73.95
    tert-amyl alcohol 57.81
    acetylacetone 273.66
    n-hexadecane 6.78
    acetophenone 185.06
    methyl propionate 203.72
    isopentyl acetate 235.38
    trichloroethylene 609.88
    n-nonanol 60.79
    cyclohexanol 123.96
    benzyl alcohol 88.76
    2-ethylhexanol 66.49
    isooctanol 68.01
    dipropyl ether 138.21
    1,2-dichlorobenzene 298.72
    ethyl lactate 77.04
    propylene carbonate 315.09
    n-methylformamide 64.54
    2-pentanol 53.98
    n-pentane 27.65
    1-propoxy-2-propanol 130.58
    1-methoxy-2-propyl acetate 276.1
    2-(2-methoxypropoxy) propanol 121.41
    mesitylene 91.87
    ε-caprolactone 491.95
    p-cymene 74.14
    epichlorohydrin 477.11
    1,1,1-trichloroethane 391.46
    2-aminoethanol 12.03
    morpholine-4-carbaldehyde 321.17
    sulfolane 557.32
    2,2,4-trimethylpentane 20.32
    2-methyltetrahydrofuran 392.37
    n-hexyl acetate 255.12
    isooctane 11.66
    2-(2-butoxyethoxy)ethanol 149.39
    sec-butyl acetate 174.12
    tert-butyl acetate 261.78
    decalin 32.12
    glycerin 13.01
    diglyme 357.79
    acrylic acid 60.55
    isopropyl myristate 89.0
    n-butyric acid 170.57
    acetyl acetate 194.15
    di(2-ethylhexyl) phthalate 86.87
    ethyl propionate 188.98
    nitromethane 135.04
    1,2-diethoxyethane 197.73
    benzonitrile 110.55
    trioctyl phosphate 63.6
    1-bromopropane 217.31
    gamma-valerolactone 595.43
    n-decanol 37.79
    triethyl phosphate 125.69
    4-methyl-2-pentanol 46.11
    propionitrile 59.77
    vinylene carbonate 275.06
    1,1,2-trichlorotrifluoroethane 236.21
    DMS 196.39
    cumene 63.71
    2-octanol 50.98
    2-hexanone 155.94
    octyl acetate 109.13
    limonene 113.12
    1,2-dimethoxyethane 159.39
    ethyl orthosilicate 127.6
    tributyl phosphate 79.3
    diacetone alcohol 159.86
    N,N-dimethylaniline 113.66
    acrylonitrile 56.6
    aniline 143.31
    1,3-propanediol 30.18
    bromobenzene 360.97
    dibromomethane 356.62
    1,1,2,2-tetrachloroethane 506.54
    2-methyl-cyclohexyl acetate 182.53
    tetrabutyl urea 101.45
    diisobutyl methanol 50.5
    2-phenylethanol 98.96
    styrene 108.33
    dioctyl adipate 136.48
    dimethyl sulfate 202.2
    ethyl butyrate 217.3
    methyl lactate 74.46
    butyl lactate 171.41
    diethyl carbonate 135.01
    propanediol butyl ether 77.57
    triethyl orthoformate 189.03
    p-tert-butyltoluene 72.13
    methyl 4-tert-butylbenzoate 235.98
    morpholine 245.84
    tert-butylamine 31.85
    n-dodecanol 25.19
    dimethoxymethane 178.41
    ethylene carbonate 259.97
    cyrene 143.22
    2-ethoxyethyl acetate 341.53
    2-ethylhexyl acetate 218.41
    1,2,4-trichlorobenzene 361.46
    4-methylpyridine 280.02
    dibutyl ether 110.03
    2,6-dimethyl-4-heptanol 50.5
    DEF 265.14
    dimethyl isosorbide 310.66
    tetrachloroethylene 345.05
    eugenol 149.01
    triacetin 283.4
    span 80 119.6
    1,4-butanediol 13.11
    1,1-dichloroethane 276.21
    2-methyl-1-pentanol 59.57
    methyl formate 54.35
    2-methyl-1-butanol 71.39
    n-decane 14.12
    butyronitrile 72.94
    3,7-dimethyl-1-octanol 59.02
    1-chlorooctane 65.62
    1-chlorotetradecane 19.19
    n-nonane 12.46
    undecane 8.15
    tert-butylcyclohexane 23.11
    cyclooctane 30.87
    cyclopentanol 112.7
    tetrahydropyran 339.11
    tert-amyl methyl ether 137.06
    2,5,8-trioxanonane 192.94
    1-hexene 65.92
    2-isopropoxyethanol 75.64
    2,2,2-trifluoroethanol 59.76
    methyl butyrate 217.05

    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