2,3-Bis(acetyloxy)propyl 9-octadecenoate

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  • Identifiers

    CAS number
    28060-90-4

    Molecular formula
    C25H44O6

    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C

  • Odor profile

    Fragrance
    Fatty 60.16%
    Waxy 48.65%
    Oily 46.96%
    Odorless 32.68%
    Sweet 31.35%
    Buttery 30.76%
    Creamy 28.04%
    Peach 26.53%
    Fruity 25.4%
    Milky 25.21%

     

    Flavor
    Waxy 59.87%
    Fruity 50.64%
    Oily 44.5%
    Sweet 33.98%
    Soapy 33.95%
    Mild 33.75%
    Fatty 33.28%
    Creamy 32.38%
    Green 31.62%
    Tropical 30.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    7.04 (neutral)

    Molecular weight
    440.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 215.65 ˚C est.

  • Synonyms

    • DTXSID50865409
    • 2,3-Bis(acetyloxy)propyl 9-octadecenoate
    • 28060-90-4
    • 55401-64-4
    • 1620218-40-7
    • 9-Octadecenoic acid (9Z)-, ester with 1,2,3-propanetriol diacetate
    • 1-O-Oleoyl-2-O,3-O-diacetyl-sn-glycerol
    • DTXCID70813821
    • KXLSJQTXSAYFDL-UHFFFAOYSA-N
    • NS00050595

  • Applications

    Chemical name: 2,3-Bis(acetyloxy)propyl 9-octadecenoate; CAS number: 28060-90-4. This compound is typically used as an intermediate in organic synthesis and as a processing aid, notably as a plasticizer or plasticizer precursor for polymers and coatings; it may also function as a cosmetic emollient/solvent and as a fragrance carrier or fixative in perfumery and personal care formulations; in household and cleaning products it can act as a non-polar solvent or co-solvent; and in industrial manufacturing it is explored as a lubricant additive or a specialty ester derivative to provide formulation flexibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.1
    methanol 37.39
    isopropanol 23.76
    water 0.21
    ethyl acetate 104.54
    n-propanol 33.32
    acetone 145.72
    n-butanol 27.74
    acetonitrile 51.36
    DMF 310.43
    toluene 42.6
    isobutanol 28.05
    1,4-dioxane 112.83
    methyl acetate 108.9
    THF 284.31
    2-butanone 137.11
    n-pentanol 31.25
    sec-butanol 35.75
    n-hexane 5.79
    ethylene glycol 4.64
    NMP 653.53
    cyclohexane 12.78
    DMSO 415.74
    n-butyl acetate 59.55
    n-octanol 19.53
    chloroform 325.82
    n-propyl acetate 90.03
    acetic acid 146.13
    dichloromethane 378.27
    cyclohexanone 274.0
    propylene glycol 11.38
    isopropyl acetate 77.07
    DMAc 781.7
    2-ethoxyethanol 91.52
    isopentanol 30.26
    n-heptane 2.96
    ethyl formate 65.97
    1,2-dichloroethane 226.38
    n-hexanol 17.03
    2-methoxyethanol 93.33
    isobutyl acetate 50.76
    tetrachloromethane 58.29
    n-pentyl acetate 77.71
    transcutol 320.75
    n-heptanol 17.38
    ethylbenzene 30.98
    MIBK 71.91
    2-propoxyethanol 67.53
    tert-butanol 43.33
    MTBE 68.91
    2-butoxyethanol 66.86
    propionic acid 76.26
    o-xylene 48.28
    formic acid 45.21
    diethyl ether 47.04
    m-xylene 29.28
    p-xylene 45.35
    chlorobenzene 75.53
    dimethyl carbonate 66.05
    n-octane 1.91
    formamide 81.62
    cyclopentanone 306.46
    2-pentanone 105.81
    anisole 73.87
    cyclopentyl methyl ether 118.48
    gamma-butyrolactone 325.78
    1-methoxy-2-propanol 81.94
    pyridine 134.57
    3-pentanone 114.6
    furfural 249.48
    n-dodecane 1.61
    diethylene glycol 34.78
    diisopropyl ether 17.8
    tert-amyl alcohol 58.8
    acetylacetone 173.7
    n-hexadecane 1.89
    acetophenone 114.93
    methyl propionate 109.24
    isopentyl acetate 60.57
    trichloroethylene 420.75
    n-nonanol 21.07
    cyclohexanol 55.83
    benzyl alcohol 52.64
    2-ethylhexanol 16.89
    isooctanol 18.29
    dipropyl ether 34.58
    1,2-dichlorobenzene 97.99
    ethyl lactate 50.37
    propylene carbonate 166.85
    n-methylformamide 98.04
    2-pentanol 22.24
    n-pentane 3.58
    1-propoxy-2-propanol 55.84
    1-methoxy-2-propyl acetate 84.96
    2-(2-methoxypropoxy) propanol 94.04
    mesitylene 20.26
    ε-caprolactone 253.42
    p-cymene 17.66
    epichlorohydrin 314.27
    1,1,1-trichloroethane 224.28
    2-aminoethanol 16.58
    morpholine-4-carbaldehyde 306.64
    sulfolane 594.48
    2,2,4-trimethylpentane 5.75
    2-methyltetrahydrofuran 186.48
    n-hexyl acetate 85.62
    isooctane 1.94
    2-(2-butoxyethoxy)ethanol 104.9
    sec-butyl acetate 67.37
    tert-butyl acetate 96.76
    decalin 10.01
    glycerin 24.14
    diglyme 254.56
    acrylic acid 67.56
    isopropyl myristate 28.73
    n-butyric acid 107.99
    acetyl acetate 100.65
    di(2-ethylhexyl) phthalate 36.08
    ethyl propionate 89.27
    nitromethane 316.08
    1,2-diethoxyethane 94.76
    benzonitrile 58.63
    trioctyl phosphate 22.47
    1-bromopropane 89.1
    gamma-valerolactone 372.34
    n-decanol 13.58
    triethyl phosphate 57.38
    4-methyl-2-pentanol 16.63
    propionitrile 44.23
    vinylene carbonate 146.8
    1,1,2-trichlorotrifluoroethane 264.24
    DMS 82.52
    cumene 23.44
    2-octanol 14.21
    2-hexanone 95.5
    octyl acetate 39.97
    limonene 29.84
    1,2-dimethoxyethane 182.19
    ethyl orthosilicate 53.9
    tributyl phosphate 33.64
    diacetone alcohol 107.53
    N,N-dimethylaniline 65.89
    acrylonitrile 58.96
    aniline 52.26
    1,3-propanediol 26.2
    bromobenzene 82.79
    dibromomethane 196.7
    1,1,2,2-tetrachloroethane 403.16
    2-methyl-cyclohexyl acetate 66.09
    tetrabutyl urea 56.14
    diisobutyl methanol 13.29
    2-phenylethanol 34.47
    styrene 37.49
    dioctyl adipate 63.37
    dimethyl sulfate 209.48
    ethyl butyrate 67.44
    methyl lactate 58.8
    butyl lactate 63.06
    diethyl carbonate 50.96
    propanediol butyl ether 53.58
    triethyl orthoformate 63.12
    p-tert-butyltoluene 15.52
    methyl 4-tert-butylbenzoate 108.44
    morpholine 165.91
    tert-butylamine 24.68
    n-dodecanol 9.64
    dimethoxymethane 129.91
    ethylene carbonate 122.2
    cyrene 115.92
    2-ethoxyethyl acetate 121.43
    2-ethylhexyl acetate 51.7
    1,2,4-trichlorobenzene 131.15
    4-methylpyridine 135.06
    dibutyl ether 40.5
    2,6-dimethyl-4-heptanol 13.29
    DEF 191.73
    dimethyl isosorbide 183.78
    tetrachloroethylene 242.84
    eugenol 79.77
    triacetin 142.7
    span 80 66.32
    1,4-butanediol 15.4
    1,1-dichloroethane 166.98
    2-methyl-1-pentanol 38.16
    methyl formate 74.19
    2-methyl-1-butanol 36.16
    n-decane 3.27
    butyronitrile 41.83
    3,7-dimethyl-1-octanol 21.96
    1-chlorooctane 19.64
    1-chlorotetradecane 6.7
    n-nonane 2.88
    undecane 2.13
    tert-butylcyclohexane 6.6
    cyclooctane 3.77
    cyclopentanol 66.2
    tetrahydropyran 127.0
    tert-amyl methyl ether 79.06
    2,5,8-trioxanonane 168.32
    1-hexene 20.04
    2-isopropoxyethanol 67.6
    2,2,2-trifluoroethanol 77.77
    methyl butyrate 127.42

    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