Decanoic acid, mixed triesters with octanoic acid and pentaerythritol

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  • Identifiers

    CAS number
    93281-00-6

    Molecular formula
    C23H48O8

    SMILES
    CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.C(C(CO)(CO)CO)O

  • Odor profile

    Fragrance
    Fatty 89.37%
    Waxy 78.59%
    Cheesy 65.09%
    Dairy 61.28%
    Creamy 49.55%
    Oily 49.15%
    Milky 47.81%
    Sour 45.19%
    Coconut 40.03%
    Sweaty 39.75%

     

    Flavor
    Fatty 74.72%
    Waxy 66.55%
    Cheese 50.34%
    Fat 46.58%
    Coconut 44.22%
    Oily 42.19%
    Creamy 39.77%
    Rancid 38.61%
    Green 35.24%
    Soapy 35.1%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.64 (neutral)

    Molecular weight
    452.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    267°C

    Flash point

    • 130.56 ˚C est.

  • Synonyms

    • EINECS 297-011-8
    • 93281-00-6
    • 2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;octanoic acid
    • UNII-832C4KF14X
    • Pentaerythritol, caprylate caprate tetraester
    • EINECS 270-472-2
    • Octanoic acid, decanoic acid, pentaerythritol ester
    • SCHEMBL3665596
    • Pentaerythrityl tetracaprylate/caprate
    • 297-011-8

  • Applications

    Decanoic acid, mixed triesters with octanoic acid and pentaerythritol (CAS 93281-00-6) finds use primarily as a plasticizer and processing aid for PVC and other polymers; they also function as lubricants and slip agents in coatings, inks, and adhesive formulations; in cosmetic and personal care products, they act as emollients/conditioning agents; they can serve as slip/release agents in coatings and paper processing; and they are used as intermediates for the synthesis of specialty esters and lubricant formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4678.58
    methanol 5055.95
    isopropanol 4565.44
    water 0.1
    ethyl acetate 1686.28
    n-propanol 3292.39
    acetone 5333.57
    n-butanol 2672.51
    acetonitrile 1063.58
    DMF 3438.2
    toluene 359.36
    isobutanol 2328.03
    1,4-dioxane 1900.35
    methyl acetate 935.01
    THF 4926.72
    2-butanone 2294.09
    n-pentanol 1974.13
    sec-butanol 2503.16
    n-hexane 1082.61
    ethylene glycol 356.29
    NMP 1788.01
    cyclohexane 362.5
    DMSO 5278.86
    n-butyl acetate 1691.4
    n-octanol 585.9
    chloroform 1240.06
    n-propyl acetate 1482.33
    acetic acid 1289.64
    dichloromethane 1149.02
    cyclohexanone 2673.84
    propylene glycol 840.65
    isopropyl acetate 1330.54
    DMAc 1361.44
    2-ethoxyethanol 1704.8
    isopentanol 2261.03
    n-heptane 208.95
    ethyl formate 730.97
    1,2-dichloroethane 1264.69
    n-hexanol 1819.71
    2-methoxyethanol 2905.1
    isobutyl acetate 892.92
    tetrachloromethane 242.44
    n-pentyl acetate 872.37
    transcutol 4120.87
    n-heptanol 677.15
    ethylbenzene 269.66
    MIBK 1380.16
    2-propoxyethanol 2148.95
    tert-butanol 4399.04
    MTBE 2539.74
    2-butoxyethanol 1112.81
    propionic acid 1197.95
    o-xylene 251.27
    formic acid 303.43
    diethyl ether 2399.29
    m-xylene 337.56
    p-xylene 342.46
    chlorobenzene 435.62
    dimethyl carbonate 226.38
    n-octane 72.11
    formamide 513.09
    cyclopentanone 3033.3
    2-pentanone 2613.74
    anisole 556.31
    cyclopentyl methyl ether 2334.98
    gamma-butyrolactone 2349.22
    1-methoxy-2-propanol 2780.45
    pyridine 1175.77
    3-pentanone 1135.42
    furfural 1174.75
    n-dodecane 37.24
    diethylene glycol 1071.21
    diisopropyl ether 717.77
    tert-amyl alcohol 2424.37
    acetylacetone 1613.38
    n-hexadecane 42.96
    acetophenone 506.2
    methyl propionate 1051.95
    isopentyl acetate 1433.56
    trichloroethylene 1525.89
    n-nonanol 490.34
    cyclohexanol 1776.76
    benzyl alcohol 529.73
    2-ethylhexanol 945.02
    isooctanol 577.54
    dipropyl ether 1336.82
    1,2-dichlorobenzene 396.67
    ethyl lactate 424.73
    propylene carbonate 984.5
    n-methylformamide 1479.38
    2-pentanol 2037.17
    n-pentane 359.15
    1-propoxy-2-propanol 1784.09
    1-methoxy-2-propyl acetate 1179.51
    2-(2-methoxypropoxy) propanol 687.75
    mesitylene 243.95
    ε-caprolactone 1705.1
    p-cymene 175.1
    epichlorohydrin 2210.99
    1,1,1-trichloroethane 944.35
    2-aminoethanol 1301.39
    morpholine-4-carbaldehyde 1549.11
    sulfolane 2858.29
    2,2,4-trimethylpentane 120.12
    2-methyltetrahydrofuran 3334.25
    n-hexyl acetate 1087.17
    isooctane 123.62
    2-(2-butoxyethoxy)ethanol 1203.88
    sec-butyl acetate 936.17
    tert-butyl acetate 1454.65
    decalin 165.8
    glycerin 747.99
    diglyme 1881.63
    acrylic acid 662.94
    isopropyl myristate 337.5
    n-butyric acid 2366.81
    acetyl acetate 534.8
    di(2-ethylhexyl) phthalate 263.56
    ethyl propionate 981.71
    nitromethane 1571.18
    1,2-diethoxyethane 1559.41
    benzonitrile 557.98
    trioctyl phosphate 243.75
    1-bromopropane 1106.03
    gamma-valerolactone 2656.0
    n-decanol 340.1
    triethyl phosphate 268.16
    4-methyl-2-pentanol 960.4
    propionitrile 1094.14
    vinylene carbonate 639.57
    1,1,2-trichlorotrifluoroethane 1257.39
    DMS 425.74
    cumene 214.16
    2-octanol 491.03
    2-hexanone 1807.77
    octyl acetate 412.45
    limonene 378.8
    1,2-dimethoxyethane 2567.27
    ethyl orthosilicate 298.82
    tributyl phosphate 310.98
    diacetone alcohol 1658.26
    N,N-dimethylaniline 389.61
    acrylonitrile 941.34
    aniline 626.78
    1,3-propanediol 1711.14
    bromobenzene 424.47
    dibromomethane 963.57
    1,1,2,2-tetrachloroethane 1484.61
    2-methyl-cyclohexyl acetate 610.57
    tetrabutyl urea 392.85
    diisobutyl methanol 503.42
    2-phenylethanol 600.76
    styrene 336.01
    dioctyl adipate 459.51
    dimethyl sulfate 415.26
    ethyl butyrate 920.02
    methyl lactate 482.14
    butyl lactate 650.89
    diethyl carbonate 408.64
    propanediol butyl ether 1020.4
    triethyl orthoformate 548.39
    p-tert-butyltoluene 194.76
    methyl 4-tert-butylbenzoate 478.95
    morpholine 3308.14
    tert-butylamine 2597.47
    n-dodecanol 241.7
    dimethoxymethane 1712.72
    ethylene carbonate 640.49
    cyrene 525.93
    2-ethoxyethyl acetate 843.25
    2-ethylhexyl acetate 1019.86
    1,2,4-trichlorobenzene 430.74
    4-methylpyridine 1222.64
    dibutyl ether 999.96
    2,6-dimethyl-4-heptanol 503.42
    DEF 1957.95
    dimethyl isosorbide 1039.77
    tetrachloroethylene 1012.37
    eugenol 490.95
    triacetin 619.01
    span 80 733.17
    1,4-butanediol 711.04
    1,1-dichloroethane 1327.81
    2-methyl-1-pentanol 1424.21
    methyl formate 616.39
    2-methyl-1-butanol 1817.16
    n-decane 81.98
    butyronitrile 1590.94
    3,7-dimethyl-1-octanol 638.93
    1-chlorooctane 367.12
    1-chlorotetradecane 106.93
    n-nonane 92.21
    undecane 52.05
    tert-butylcyclohexane 186.93
    cyclooctane 107.48
    cyclopentanol 2193.35
    tetrahydropyran 3486.86
    tert-amyl methyl ether 1426.84
    2,5,8-trioxanonane 1106.82
    1-hexene 2298.3
    2-isopropoxyethanol 1339.43
    2,2,2-trifluoroethanol 240.29
    methyl butyrate 1477.33

    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