2-(Hydroxymethyl)-2-((oleoyloxy)methyl)-1,3-propanediyl dioleate

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  • Identifiers

    CAS number
    39874-62-9

    Molecular formula
    C59H108O7

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 64.12%
    Waxy 59.69%
    Oily 55.2%
    Odorless 30.23%
    Sweet 26.44%
    Creamy 21.11%
    Fruity 20.62%
    Balsamic 20.37%
    Buttery 19.22%
    Milky 18.18%

     

    Flavor
    Waxy 40.67%
    Mild 32.14%
    Oily 30.84%
    Fatty 30.78%
    Faint 30.74%
    Bland 29.05%
    Slightly waxy 22.33%
    Beer 20.73%
    Bay oil 20.55%
    Delicate 20.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.8

    pKa est.
    7.99 (neutral)

    Molecular weight
    929.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    811°C

    Flash point

    • 298.13 ˚C est.

  • Synonyms

    • 2-(HYDROXYMETHYL)-2-[(OLEOYLOXY)METHYL]-1,3-PROPANEDIYL DIOLEATE
    • 2-(Hydroxymethyl)-2-((oleoyloxy)methyl)-1,3-propanediyl dioleate
    • DTXSID101014922
    • 9-Octadecenoic acid (9Z)-, 1,1'-(2-(hydroxymethyl)-2-((((9Z)-1-oxo-9-octadecen-1-yl)oxy)methyl)-1,3-propanediyl) ester
    • 9-Octadecenoic acid (9Z)-, 1,1'-[2-(hydroxymethyl)-2-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,3-propanediyl] ester
    • RefChem:461054
    • DTXCID801473260
    • 254-664-3
    • 39874-62-9
    • Pentaerythrityl trioleate
    • 9-Octadecenoic acid (9Z)-, 2-(hydroxymethyl)-2-[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl ester
    • Pentaerythritol trioleate
    • 9-Octadecenoic acid (9Z)-, 2-(hydroxymethyl)-2-((((9Z)-1-oxo-9-octadecenyl)oxy)methyl)-1,3-propanediyl ester
    • EINECS 254-664-3
    • SCHEMBL29369084
    • WOMIGYWYSKWGFG-UCTUUELPSA-N
    • 9-Octadecenoic acid, 2-(hydroxymethyl)-2-(((1-oxo-9-octadecenyl)oxy)methyl)-1,3-propan- ediyl ester
    • 2-(Hydroxymethyl)-2-({[(9Z)-octadec-9-enoyl]oxy}methyl)propane-1,3-diyl (9E,9'E)di-octadec-9-enoate
    • 39874-62-9

  • Applications

    Chemical name: 2-(Hydroxymethyl)-2-((oleoyloxy)methyl)-1,3-propanediyl dioleate, CAS 39874-62-9, is a lipophilic glycerol-derived diester bearing two oleoyl groups, used primarily as an emollient and lipid base in cosmetics and personal care products. It also functions as a plasticizer and lubricating additive for polymers and coatings, helping to impart flexibility and improve film properties. It is employed as an additive in coatings, inks, and adhesives to enhance flow, softness, and processability. Because of its lipid-like character, it can serve as a starting material for synthesizing other fatty ester derivatives and may act as a lipid-based excipient in pharmaceutical formulations, subject to local regulations. It may also be used as a processing aid or cosmetic ingredient depending on formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.98
    methanol 16.91
    isopropanol 13.25
    water 0.17
    ethyl acetate 125.26
    n-propanol 23.54
    acetone 97.42
    n-butanol 20.69
    acetonitrile 29.72
    DMF 201.53
    toluene 78.98
    isobutanol 21.85
    1,4-dioxane 98.5
    methyl acetate 94.57
    THF 294.44
    2-butanone 122.65
    n-pentanol 22.97
    sec-butanol 27.27
    n-hexane 8.95
    ethylene glycol 2.81
    NMP 773.02
    cyclohexane 17.57
    DMSO 164.42
    n-butyl acetate 76.32
    n-octanol 27.75
    chloroform 418.73
    n-propyl acetate 100.87
    acetic acid 86.75
    dichloromethane 369.98
    cyclohexanone 305.84
    propylene glycol 8.86
    isopropyl acetate 109.66
    DMAc 506.17
    2-ethoxyethanol 55.3
    isopentanol 24.1
    n-heptane 6.89
    ethyl formate 59.87
    1,2-dichloroethane 192.63
    n-hexanol 16.71
    2-methoxyethanol 54.52
    isobutyl acetate 69.06
    tetrachloromethane 77.58
    n-pentyl acetate 145.18
    transcutol 228.59
    n-heptanol 23.69
    ethylbenzene 48.02
    MIBK 87.81
    2-propoxyethanol 58.54
    tert-butanol 24.98
    MTBE 58.91
    2-butoxyethanol 73.72
    propionic acid 70.63
    o-xylene 73.4
    formic acid 25.17
    diethyl ether 41.5
    m-xylene 59.71
    p-xylene 63.25
    chlorobenzene 133.43
    dimethyl carbonate 107.57
    n-octane 4.57
    formamide 43.02
    cyclopentanone 413.19
    2-pentanone 114.83
    anisole 86.76
    cyclopentyl methyl ether 187.74
    gamma-butyrolactone 482.68
    1-methoxy-2-propanol 73.61
    pyridine 162.06
    3-pentanone 133.46
    furfural 316.33
    n-dodecane 2.92
    diethylene glycol 22.47
    diisopropyl ether 25.75
    tert-amyl alcohol 44.2
    acetylacetone 210.85
    n-hexadecane 3.46
    acetophenone 147.97
    methyl propionate 149.49
    isopentyl acetate 77.01
    trichloroethylene 504.32
    n-nonanol 29.69
    cyclohexanol 57.5
    benzyl alcohol 54.61
    2-ethylhexanol 21.69
    isooctanol 26.17
    dipropyl ether 48.61
    1,2-dichlorobenzene 183.23
    ethyl lactate 65.68
    propylene carbonate 272.53
    n-methylformamide 75.88
    2-pentanol 23.1
    n-pentane 6.16
    1-propoxy-2-propanol 66.57
    1-methoxy-2-propyl acetate 123.64
    2-(2-methoxypropoxy) propanol 91.5
    mesitylene 40.93
    ε-caprolactone 326.19
    p-cymene 31.08
    epichlorohydrin 345.57
    1,1,1-trichloroethane 276.72
    2-aminoethanol 10.27
    morpholine-4-carbaldehyde 302.54
    sulfolane 816.67
    2,2,4-trimethylpentane 9.71
    2-methyltetrahydrofuran 197.0
    n-hexyl acetate 134.81
    isooctane 4.15
    2-(2-butoxyethoxy)ethanol 93.74
    sec-butyl acetate 89.55
    tert-butyl acetate 150.61
    decalin 15.61
    glycerin 18.11
    diglyme 216.57
    acrylic acid 66.57
    isopropyl myristate 43.33
    n-butyric acid 108.34
    acetyl acetate 135.97
    di(2-ethylhexyl) phthalate 50.76
    ethyl propionate 116.87
    nitromethane 205.17
    1,2-diethoxyethane 89.09
    benzonitrile 68.24
    trioctyl phosphate 33.97
    1-bromopropane 89.27
    gamma-valerolactone 488.19
    n-decanol 18.26
    triethyl phosphate 72.65
    4-methyl-2-pentanol 19.65
    propionitrile 37.39
    vinylene carbonate 232.0
    1,1,2-trichlorotrifluoroethane 298.26
    DMS 131.63
    cumene 34.47
    2-octanol 23.91
    2-hexanone 94.46
    octyl acetate 57.87
    limonene 48.77
    1,2-dimethoxyethane 108.03
    ethyl orthosilicate 65.55
    tributyl phosphate 45.86
    diacetone alcohol 125.95
    N,N-dimethylaniline 86.65
    acrylonitrile 50.08
    aniline 67.44
    1,3-propanediol 15.66
    bromobenzene 173.03
    dibromomethane 202.47
    1,1,2,2-tetrachloroethane 480.79
    2-methyl-cyclohexyl acetate 94.31
    tetrabutyl urea 72.11
    diisobutyl methanol 18.02
    2-phenylethanol 39.5
    styrene 53.98
    dioctyl adipate 83.52
    dimethyl sulfate 282.75
    ethyl butyrate 97.54
    methyl lactate 89.06
    butyl lactate 114.4
    diethyl carbonate 62.37
    propanediol butyl ether 64.39
    triethyl orthoformate 88.8
    p-tert-butyltoluene 31.54
    methyl 4-tert-butylbenzoate 180.92
    morpholine 128.28
    tert-butylamine 16.98
    n-dodecanol 12.17
    dimethoxymethane 124.47
    ethylene carbonate 184.13
    cyrene 149.05
    2-ethoxyethyl acetate 188.05
    2-ethylhexyl acetate 72.41
    1,2,4-trichlorobenzene 250.99
    4-methylpyridine 162.55
    dibutyl ether 49.15
    2,6-dimethyl-4-heptanol 18.02
    DEF 186.72
    dimethyl isosorbide 232.96
    tetrachloroethylene 272.65
    eugenol 111.9
    triacetin 229.77
    span 80 85.92
    1,4-butanediol 9.79
    1,1-dichloroethane 171.93
    2-methyl-1-pentanol 29.11
    methyl formate 71.27
    2-methyl-1-butanol 30.93
    n-decane 6.6
    butyronitrile 33.33
    3,7-dimethyl-1-octanol 28.99
    1-chlorooctane 32.41
    1-chlorotetradecane 10.64
    n-nonane 6.05
    undecane 4.08
    tert-butylcyclohexane 12.09
    cyclooctane 9.23
    cyclopentanol 68.15
    tetrahydropyran 131.35
    tert-amyl methyl ether 84.74
    2,5,8-trioxanonane 123.46
    1-hexene 24.14
    2-isopropoxyethanol 51.55
    2,2,2-trifluoroethanol 58.27
    methyl butyrate 145.35

    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