Pentaerythrityl Tetrabehenate

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  • Identifiers

    CAS number
    61682-73-3

    Molecular formula
    C93H180O8

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 76.15%
    Fatty 58.98%
    Oily 45.24%
    Odorless 36.44%
    Creamy 18.79%
    Sweet 17.94%
    Balsamic 15.43%
    Fishy 15.04%
    Alcoholic 13.8%
    Savory 13.7%

     

    Flavor
    Waxy 53.17%
    Mild 41.54%
    Bland 37.2%
    Fatty 37.12%
    Oily 35.06%
    Faint 30.85%
    Slightly waxy 24.16%
    Fat 23.67%
    Odorless 23.54%
    Beer 22.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    42.2

    pKa est.
    -8.8 (strong acid)

    Molecular weight
    1426.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    710°C

    Flash point

    • 238.51 ˚C est.

  • Synonyms

    • Pentaerythritol tetrabehenate
    • Pentaerythrityl tetrabehenate
    • 9MNZ044IRY
    • 2,2-BIS[[(1-OXODOCOSYL)OXY]METHYL]PROPANE-1,3-DIYL DIDOCOSANOATE
    • DUB PTB
    • LIPONATE PB-4
    • ETHOX PB-4
    • HEST P-4B
    • PENTAERYTHRITOL TETRADOCOSANOATE
    • DTXSID60893556
    • Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl ester
    • PENTAERYTHRITOL, TETRADOCOSANOATE
    • 2,2-Bis(((1-oxodocosyl)oxy)methyl)propane-1,3-diyl didocosanoate
    • Docosanoic acid, 2,2-bis[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester
    • Docosanoic acid, 1,1'-(2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl) ester
    • Docosanoic acid, 1,1'-[2,2-bis[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl] ester
    • RefChem:859772
    • DTXCID601323584
    • PENTAERYTHRITYL TETRABEHENATE [INCI]
    • Docosanoic acid, 2,2-bis(1-oxodocosyl)oxymethyl-1,3-propanediyl ester
    • 61682-73-3
    • [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] docosanoate
    • Pentaerythrite tetrabehenate
    • EINECS 262-895-6
    • UNII-9MNZ044IRY
    • BRN 1811574
    • 2,2-Bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl docosanoate
    • Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl-1,3-propanediyl ester
    • 4-02-00-01293 (Beilstein Handbook Reference)
    • SCHEMBL1096530
    • NS00013965
    • Q27272751
    • 2,2-Bis[(docosanoyloxy)methyl]propane-1,3-diyl didocosanoate
    • 61682-73-3

  • Applications

    Pentaerythrityl Tetrabehenate (CAS 61682-73-3) is a high-molecular-weight pentaerythritol tetraester used in cosmetics and personal care as an emollient and thickening/structuring agent to improve slip, stability and texture in creams, lotions and lip care products; it also functions as a wax-like structuring component in color cosmetics such as lipsticks; in coatings and inks it acts as a rheology modifier to adjust flow and gloss; in polymer and plastics formulations it can serve as a lubricant or processing aid. Its use is typically formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.53
    methanol 31.96
    isopropanol 20.1
    water 1.21
    ethyl acetate 172.42
    n-propanol 35.23
    acetone 149.93
    n-butanol 27.78
    acetonitrile 62.13
    DMF 323.13
    toluene 87.38
    isobutanol 30.76
    1,4-dioxane 119.36
    methyl acetate 147.5
    THF 319.09
    2-butanone 168.43
    n-pentanol 30.63
    sec-butanol 35.41
    n-hexane 7.57
    ethylene glycol 7.64
    NMP 1041.71
    cyclohexane 14.64
    DMSO 266.9
    n-butyl acetate 106.86
    n-octanol 31.97
    chloroform 585.16
    n-propyl acetate 146.55
    acetic acid 169.84
    dichloromethane 529.49
    cyclohexanone 392.33
    propylene glycol 18.89
    isopropyl acetate 150.99
    DMAc 664.25
    2-ethoxyethanol 83.38
    isopentanol 29.73
    n-heptane 6.04
    ethyl formate 102.36
    1,2-dichloroethane 254.77
    n-hexanol 18.88
    2-methoxyethanol 86.72
    isobutyl acetate 96.48
    tetrachloromethane 111.6
    n-pentyl acetate 189.62
    transcutol 288.5
    n-heptanol 28.27
    ethylbenzene 51.82
    MIBK 109.53
    2-propoxyethanol 75.45
    tert-butanol 32.9
    MTBE 60.51
    2-butoxyethanol 98.64
    propionic acid 126.14
    o-xylene 85.62
    formic acid 65.32
    diethyl ether 43.2
    m-xylene 71.43
    p-xylene 77.85
    chlorobenzene 176.96
    dimethyl carbonate 169.76
    n-octane 4.49
    formamide 107.63
    cyclopentanone 547.85
    2-pentanone 142.04
    anisole 100.46
    cyclopentyl methyl ether 189.37
    gamma-butyrolactone 743.55
    1-methoxy-2-propanol 97.16
    pyridine 225.65
    3-pentanone 164.74
    furfural 567.33
    n-dodecane 2.95
    diethylene glycol 37.74
    diisopropyl ether 26.68
    tert-amyl alcohol 51.06
    acetylacetone 314.65
    n-hexadecane 3.44
    acetophenone 203.21
    methyl propionate 201.34
    isopentyl acetate 100.86
    trichloroethylene 734.95
    n-nonanol 33.44
    cyclohexanol 69.06
    benzyl alcohol 77.13
    2-ethylhexanol 22.59
    isooctanol 29.22
    dipropyl ether 49.85
    1,2-dichlorobenzene 251.78
    ethyl lactate 105.71
    propylene carbonate 432.4
    n-methylformamide 154.19
    2-pentanol 26.86
    n-pentane 5.19
    1-propoxy-2-propanol 81.35
    1-methoxy-2-propyl acetate 160.23
    2-(2-methoxypropoxy) propanol 113.43
    mesitylene 50.35
    ε-caprolactone 436.64
    p-cymene 36.38
    epichlorohydrin 454.27
    1,1,1-trichloroethane 387.65
    2-aminoethanol 22.45
    morpholine-4-carbaldehyde 443.36
    sulfolane 1222.43
    2,2,4-trimethylpentane 7.92
    2-methyltetrahydrofuran 206.1
    n-hexyl acetate 161.06
    isooctane 3.68
    2-(2-butoxyethoxy)ethanol 116.8
    sec-butyl acetate 124.11
    tert-butyl acetate 194.62
    decalin 14.36
    glycerin 40.23
    diglyme 285.02
    acrylic acid 134.31
    isopropyl myristate 52.35
    n-butyric acid 165.14
    acetyl acetate 219.86
    di(2-ethylhexyl) phthalate 70.4
    ethyl propionate 162.25
    nitromethane 422.96
    1,2-diethoxyethane 106.06
    benzonitrile 112.3
    trioctyl phosphate 44.67
    1-bromopropane 98.83
    gamma-valerolactone 685.55
    n-decanol 20.74
    triethyl phosphate 97.01
    4-methyl-2-pentanol 21.6
    propionitrile 64.58
    vinylene carbonate 414.7
    1,1,2-trichlorotrifluoroethane 483.42
    DMS 192.86
    cumene 39.04
    2-octanol 27.09
    2-hexanone 122.29
    octyl acetate 70.54
    limonene 50.94
    1,2-dimethoxyethane 145.68
    ethyl orthosilicate 81.81
    tributyl phosphate 64.92
    diacetone alcohol 171.06
    N,N-dimethylaniline 91.72
    acrylonitrile 97.67
    aniline 91.56
    1,3-propanediol 29.73
    bromobenzene 213.56
    dibromomethane 268.54
    1,1,2,2-tetrachloroethane 630.28
    2-methyl-cyclohexyl acetate 120.15
    tetrabutyl urea 96.72
    diisobutyl methanol 18.73
    2-phenylethanol 52.59
    styrene 60.61
    dioctyl adipate 108.62
    dimethyl sulfate 473.58
    ethyl butyrate 128.79
    methyl lactate 142.41
    butyl lactate 160.01
    diethyl carbonate 92.28
    propanediol butyl ether 90.86
    triethyl orthoformate 112.62
    p-tert-butyltoluene 36.15
    methyl 4-tert-butylbenzoate 245.16
    morpholine 154.58
    tert-butylamine 20.08
    n-dodecanol 13.89
    dimethoxymethane 161.83
    ethylene carbonate 306.39
    cyrene 207.72
    2-ethoxyethyl acetate 260.12
    2-ethylhexyl acetate 91.1
    1,2,4-trichlorobenzene 339.35
    4-methylpyridine 218.77
    dibutyl ether 53.35
    2,6-dimethyl-4-heptanol 18.73
    DEF 234.11
    dimethyl isosorbide 286.92
    tetrachloroethylene 380.47
    eugenol 158.84
    triacetin 343.13
    span 80 102.37
    1,4-butanediol 18.81
    1,1-dichloroethane 232.62
    2-methyl-1-pentanol 35.03
    methyl formate 148.84
    2-methyl-1-butanol 37.61
    n-decane 6.5
    butyronitrile 50.1
    3,7-dimethyl-1-octanol 32.26
    1-chlorooctane 34.87
    1-chlorotetradecane 11.43
    n-nonane 5.9
    undecane 4.03
    tert-butylcyclohexane 10.68
    cyclooctane 7.82
    cyclopentanol 88.38
    tetrahydropyran 127.29
    tert-amyl methyl ether 81.36
    2,5,8-trioxanonane 160.89
    1-hexene 22.33
    2-isopropoxyethanol 70.03
    2,2,2-trifluoroethanol 139.78
    methyl butyrate 204.11

    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