3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate

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  • Identifiers

    CAS number
    26571-49-3

    Molecular formula
    C39H72O4

    SMILES
    CCCCCCCC/C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C/CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 72.81%
    Oily 62.33%
    Waxy 61.54%
    Sweet 31.27%
    Odorless 28.17%
    Fruity 24.31%
    Creamy 23.63%
    Buttery 20.53%
    Dairy 19.99%
    Balsamic 17.83%

     

    Flavor
    Waxy 45.92%
    Fatty 36.5%
    Oily 32.32%
    Faint 32.1%
    Mild 31.29%
    Bland 26.13%
    Slightly waxy 22.83%
    Soapy 21.15%
    Beer 21.13%
    Bay oil 21.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.3

    pKa est.
    9.32 (weak base)

    Molecular weight
    605.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    579°C

    Flash point

    • 262.77 ˚C est.

  • Synonyms

    • PPG-17 Dioleate
    • 26571-49-3
    • 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate
    • SCHEMBL29529345
    • DAGUWHQPUZIHIC-XPWSMXQVSA-N
    • 26571-49-3

  • Applications

    Chemical name: 3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate; CAS number: 26571-49-3 is a long-chain fatty acid ester (oleoyl) commonly used as an emollient and conditioning ingredient in cosmetics and personal care products to impart softness and moisture retention. In industrial and manufacturing contexts, it serves as a processing oil and lubricant for polymers and coatings/inks, acts as a surfactant or co-emulsifier in formulations, and functions as a carrier oil or excipient in cleaning products and some pharmaceutical topical formulations, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.18
    methanol 2.7
    isopropanol 2.03
    water 0.03
    ethyl acetate 31.33
    n-propanol 3.94
    acetone 20.35
    n-butanol 4.39
    acetonitrile 6.9
    DMF 34.46
    toluene 23.11
    isobutanol 3.84
    1,4-dioxane 34.29
    methyl acetate 21.76
    THF 103.73
    2-butanone 31.53
    n-pentanol 5.9
    sec-butanol 5.22
    n-hexane 5.53
    ethylene glycol 0.33
    NMP 213.8
    cyclohexane 17.49
    DMSO 43.22
    n-butyl acetate 32.76
    n-octanol 11.01
    chloroform 170.93
    n-propyl acetate 37.73
    acetic acid 12.07
    dichloromethane 174.98
    cyclohexanone 117.3
    propylene glycol 0.99
    isopropyl acetate 30.32
    DMAc 129.93
    2-ethoxyethanol 14.87
    isopentanol 5.82
    n-heptane 4.95
    ethyl formate 14.48
    1,2-dichloroethane 88.75
    n-hexanol 5.0
    2-methoxyethanol 10.23
    isobutyl acetate 25.87
    tetrachloromethane 36.81
    n-pentyl acetate 63.79
    transcutol 101.87
    n-heptanol 8.52
    ethylbenzene 20.61
    MIBK 28.93
    2-propoxyethanol 15.94
    tert-butanol 4.89
    MTBE 18.78
    2-butoxyethanol 26.31
    propionic acid 11.33
    o-xylene 23.92
    formic acid 3.07
    diethyl ether 14.34
    m-xylene 18.82
    p-xylene 28.63
    chlorobenzene 46.51
    dimethyl carbonate 15.26
    n-octane 3.18
    formamide 6.03
    cyclopentanone 125.3
    2-pentanone 30.73
    anisole 33.84
    cyclopentyl methyl ether 63.99
    gamma-butyrolactone 123.79
    1-methoxy-2-propanol 12.78
    pyridine 56.01
    3-pentanone 39.27
    furfural 89.46
    n-dodecane 1.88
    diethylene glycol 5.17
    diisopropyl ether 10.27
    tert-amyl alcohol 10.68
    acetylacetone 54.77
    n-hexadecane 2.29
    acetophenone 54.43
    methyl propionate 29.52
    isopentyl acetate 36.32
    trichloroethylene 184.86
    n-nonanol 12.77
    cyclohexanol 16.38
    benzyl alcohol 15.26
    2-ethylhexanol 9.18
    isooctanol 10.36
    dipropyl ether 24.66
    1,2-dichlorobenzene 70.92
    ethyl lactate 16.99
    propylene carbonate 70.41
    n-methylformamide 11.22
    2-pentanol 4.76
    n-pentane 2.74
    1-propoxy-2-propanol 19.88
    1-methoxy-2-propyl acetate 42.05
    2-(2-methoxypropoxy) propanol 39.38
    mesitylene 15.45
    ε-caprolactone 112.83
    p-cymene 15.76
    epichlorohydrin 115.65
    1,1,1-trichloroethane 114.47
    2-aminoethanol 1.35
    morpholine-4-carbaldehyde 83.36
    sulfolane 253.79
    2,2,4-trimethylpentane 5.08
    2-methyltetrahydrofuran 75.67
    n-hexyl acetate 61.89
    isooctane 1.98
    2-(2-butoxyethoxy)ethanol 40.34
    sec-butyl acetate 34.44
    tert-butyl acetate 51.6
    decalin 11.1
    glycerin 2.26
    diglyme 104.24
    acrylic acid 9.67
    isopropyl myristate 21.58
    n-butyric acid 21.91
    acetyl acetate 32.47
    di(2-ethylhexyl) phthalate 21.71
    ethyl propionate 39.51
    nitromethane 34.68
    1,2-diethoxyethane 51.43
    benzonitrile 23.46
    trioctyl phosphate 14.2
    1-bromopropane 41.02
    gamma-valerolactone 153.99
    n-decanol 7.84
    triethyl phosphate 37.5
    4-methyl-2-pentanol 4.88
    propionitrile 9.62
    vinylene carbonate 56.98
    1,1,2-trichlorotrifluoroethane 79.42
    DMS 37.87
    cumene 15.99
    2-octanol 9.22
    2-hexanone 38.11
    octyl acetate 25.78
    limonene 25.23
    1,2-dimethoxyethane 44.49
    ethyl orthosilicate 36.37
    tributyl phosphate 20.45
    diacetone alcohol 34.84
    N,N-dimethylaniline 33.87
    acrylonitrile 11.16
    aniline 16.15
    1,3-propanediol 2.71
    bromobenzene 62.9
    dibromomethane 93.69
    1,1,2,2-tetrachloroethane 191.44
    2-methyl-cyclohexyl acetate 50.94
    tetrabutyl urea 36.25
    diisobutyl methanol 8.49
    2-phenylethanol 13.85
    styrene 22.02
    dioctyl adipate 41.63
    dimethyl sulfate 48.15
    ethyl butyrate 46.06
    methyl lactate 13.28
    butyl lactate 38.73
    diethyl carbonate 27.63
    propanediol butyl ether 18.26
    triethyl orthoformate 46.16
    p-tert-butyltoluene 14.79
    methyl 4-tert-butylbenzoate 70.69
    morpholine 38.46
    tert-butylamine 4.17
    n-dodecanol 5.37
    dimethoxymethane 23.37
    ethylene carbonate 46.08
    cyrene 53.5
    2-ethoxyethyl acetate 76.54
    2-ethylhexyl acetate 36.39
    1,2,4-trichlorobenzene 89.47
    4-methylpyridine 50.53
    dibutyl ether 33.77
    2,6-dimethyl-4-heptanol 8.49
    DEF 51.94
    dimethyl isosorbide 107.89
    tetrachloroethylene 109.94
    eugenol 45.12
    triacetin 87.94
    span 80 35.47
    1,4-butanediol 1.85
    1,1-dichloroethane 62.85
    2-methyl-1-pentanol 9.34
    methyl formate 9.81
    2-methyl-1-butanol 7.03
    n-decane 4.46
    butyronitrile 10.41
    3,7-dimethyl-1-octanol 13.3
    1-chlorooctane 19.11
    1-chlorotetradecane 6.04
    n-nonane 4.15
    undecane 2.67
    tert-butylcyclohexane 7.09
    cyclooctane 7.2
    cyclopentanol 15.75
    tetrahydropyran 51.09
    tert-amyl methyl ether 28.44
    2,5,8-trioxanonane 63.25
    1-hexene 11.05
    2-isopropoxyethanol 14.14
    2,2,2-trifluoroethanol 8.99
    methyl butyrate 50.81

    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