Pentaerythrityl dioleate

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  • Identifiers

    CAS number
    25151-96-6

    Molecular formula
    C41H76O6

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(CO)CO

    Safety labels

  • Odor profile

    Fragrance
    Fatty 59.22%
    Waxy 57.84%
    Oily 52.93%
    Odorless 30.79%
    Sweet 28.03%
    Fruity 24.7%
    Balsamic 21.98%
    Creamy 21.6%
    Woody 21.05%
    Buttery 20.52%

     

    Flavor
    Waxy 44.12%
    Mild 33.99%
    Oily 33.56%
    Fatty 31.3%
    Faint 28.87%
    Bland 28.7%
    Slightly waxy 22.25%
    Beer 21.4%
    Soapy 21.24%
    Bay oil 21.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.7

    pKa est.
    7.41 (neutral)

    Molecular weight
    665.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    875°C

    Flash point

    • 271.99 ˚C est.

  • Synonyms

    • Pentaerythritol dioleate
    • Pentaerythrityl dioleate
    • 25151-96-6
    • 9Z47CC098O
    • 9-Octadecenoic acid (Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
    • 9-Octadecenoic acid (9Z)-, 1,1'-(2,2-bis(hydroxymethyl)-1,3-propanediyl) ester
    • 2,2-Bis(hydroxymethyl)-1,3-propanediyl dioleate
    • UNII-9Z47CC098O
    • 9-Octadecenoic acid (9Z)-, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
    • EINECS 246-665-2
    • pentaerythritoldioleate
    • DUB DOL PE
    • EC 246-665-2
    • RADIASURF 7156
    • SCHEMBL4132279
    • AEC PENTAERYTHRITYL DIOLEATE
    • 9-Octadecenoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediylester
    • DB-255921
    • Q27273402
    • OLEIC ACID, 2,2-BIS(HYDROXYMETHYL)TRIMETHYLENE ESTER
    • (Z)-9-OCTADECENOIC ACID, 2,2-BIS(HYDROXYMETHYL)-1,3-PROPANEDIYL ESTER
    • 25151-96-6

  • Applications

    Pentaerythrityl dioleate (CAS 25151-96-6) is the diester of pentaerythritol with oleic acid. In industrial use, it serves primarily as a plasticizer for polymers such as PVC and other resins, improving flexibility and softness of the material; it functions as an emollient and conditioning agent in cosmetics and personal care formulations; it acts as a lubricant and processing aid in coatings, paints, inks, and plastic processing; it is employed as an intermediate in the production of alkyd resins and other oil-based coatings; it can also be used as a fatty ester component in formulation of cosmetic or skincare products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.45
    methanol 12.54
    isopropanol 7.94
    water 0.13
    ethyl acetate 64.48
    n-propanol 14.17
    acetone 52.96
    n-butanol 13.76
    acetonitrile 13.66
    DMF 121.4
    toluene 40.45
    isobutanol 13.56
    1,4-dioxane 66.33
    methyl acetate 48.17
    THF 208.7
    2-butanone 69.22
    n-pentanol 14.52
    sec-butanol 16.13
    n-hexane 5.37
    ethylene glycol 1.85
    NMP 497.76
    cyclohexane 13.26
    DMSO 116.8
    n-butyl acetate 47.04
    n-octanol 21.3
    chloroform 225.8
    n-propyl acetate 56.99
    acetic acid 49.4
    dichloromethane 200.53
    cyclohexanone 201.32
    propylene glycol 5.52
    isopropyl acetate 61.3
    DMAc 323.48
    2-ethoxyethanol 38.37
    isopentanol 17.06
    n-heptane 4.93
    ethyl formate 34.64
    1,2-dichloroethane 112.24
    n-hexanol 11.75
    2-methoxyethanol 39.2
    isobutyl acetate 42.76
    tetrachloromethane 45.47
    n-pentyl acetate 98.62
    transcutol 188.39
    n-heptanol 19.12
    ethylbenzene 26.68
    MIBK 57.67
    2-propoxyethanol 40.3
    tert-butanol 16.49
    MTBE 36.53
    2-butoxyethanol 61.27
    propionic acid 40.64
    o-xylene 41.39
    formic acid 16.05
    diethyl ether 24.37
    m-xylene 32.14
    p-xylene 33.69
    chlorobenzene 63.03
    dimethyl carbonate 53.79
    n-octane 3.2
    formamide 26.44
    cyclopentanone 257.97
    2-pentanone 68.99
    anisole 49.79
    cyclopentyl methyl ether 126.26
    gamma-butyrolactone 291.19
    1-methoxy-2-propanol 50.87
    pyridine 91.35
    3-pentanone 76.86
    furfural 183.44
    n-dodecane 1.99
    diethylene glycol 16.04
    diisopropyl ether 16.09
    tert-amyl alcohol 28.97
    acetylacetone 121.21
    n-hexadecane 2.37
    acetophenone 84.74
    methyl propionate 78.18
    isopentyl acetate 53.77
    trichloroethylene 273.78
    n-nonanol 23.17
    cyclohexanol 39.89
    benzyl alcohol 33.26
    2-ethylhexanol 16.25
    isooctanol 22.08
    dipropyl ether 33.32
    1,2-dichlorobenzene 93.6
    ethyl lactate 42.19
    propylene carbonate 166.95
    n-methylformamide 42.54
    2-pentanol 14.27
    n-pentane 3.78
    1-propoxy-2-propanol 47.6
    1-methoxy-2-propyl acetate 78.96
    2-(2-methoxypropoxy) propanol 70.29
    mesitylene 22.97
    ε-caprolactone 210.52
    p-cymene 19.48
    epichlorohydrin 218.03
    1,1,1-trichloroethane 143.72
    2-aminoethanol 6.94
    morpholine-4-carbaldehyde 205.24
    sulfolane 572.37
    2,2,4-trimethylpentane 6.74
    2-methyltetrahydrofuran 130.76
    n-hexyl acetate 94.8
    isooctane 2.75
    2-(2-butoxyethoxy)ethanol 76.1
    sec-butyl acetate 53.42
    tert-butyl acetate 97.26
    decalin 10.4
    glycerin 12.44
    diglyme 177.74
    acrylic acid 36.55
    isopropyl myristate 29.43
    n-butyric acid 68.71
    acetyl acetate 64.05
    di(2-ethylhexyl) phthalate 34.16
    ethyl propionate 65.98
    nitromethane 106.28
    1,2-diethoxyethane 63.36
    benzonitrile 36.84
    trioctyl phosphate 24.49
    1-bromopropane 48.56
    gamma-valerolactone 322.67
    n-decanol 13.86
    triethyl phosphate 49.06
    4-methyl-2-pentanol 13.92
    propionitrile 17.95
    vinylene carbonate 137.11
    1,1,2-trichlorotrifluoroethane 199.44
    DMS 72.09
    cumene 20.53
    2-octanol 18.36
    2-hexanone 56.86
    octyl acetate 38.68
    limonene 32.75
    1,2-dimethoxyethane 76.31
    ethyl orthosilicate 47.26
    tributyl phosphate 31.49
    diacetone alcohol 91.26
    N,N-dimethylaniline 52.39
    acrylonitrile 24.29
    aniline 36.6
    1,3-propanediol 11.02
    bromobenzene 78.11
    dibromomethane 109.13
    1,1,2,2-tetrachloroethane 274.36
    2-methyl-cyclohexyl acetate 66.03
    tetrabutyl urea 49.65
    diisobutyl methanol 13.8
    2-phenylethanol 25.63
    styrene 28.3
    dioctyl adipate 57.1
    dimethyl sulfate 157.42
    ethyl butyrate 61.53
    methyl lactate 54.25
    butyl lactate 82.2
    diethyl carbonate 37.28
    propanediol butyl ether 52.53
    triethyl orthoformate 62.18
    p-tert-butyltoluene 20.15
    methyl 4-tert-butylbenzoate 124.54
    morpholine 88.65
    tert-butylamine 11.19
    n-dodecanol 9.02
    dimethoxymethane 77.63
    ethylene carbonate 108.35
    cyrene 105.98
    2-ethoxyethyl acetate 123.18
    2-ethylhexyl acetate 50.24
    1,2,4-trichlorobenzene 126.78
    4-methylpyridine 85.86
    dibutyl ether 36.29
    2,6-dimethyl-4-heptanol 13.8
    DEF 117.31
    dimethyl isosorbide 172.76
    tetrachloroethylene 167.55
    eugenol 81.04
    triacetin 143.62
    span 80 67.42
    1,4-butanediol 6.47
    1,1-dichloroethane 83.84
    2-methyl-1-pentanol 20.47
    methyl formate 37.84
    2-methyl-1-butanol 20.89
    n-decane 4.72
    butyronitrile 18.44
    3,7-dimethyl-1-octanol 22.18
    1-chlorooctane 22.91
    1-chlorotetradecane 6.96
    n-nonane 4.29
    undecane 2.86
    tert-butylcyclohexane 8.05
    cyclooctane 6.54
    cyclopentanol 45.42
    tetrahydropyran 89.85
    tert-amyl methyl ether 53.74
    2,5,8-trioxanonane 100.86
    1-hexene 13.61
    2-isopropoxyethanol 35.13
    2,2,2-trifluoroethanol 33.19
    methyl butyrate 87.9

    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