Pentaerythrityl tetracaprylate

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  • Identifiers

    CAS number
    3008-50-2

    Molecular formula
    C37H68O8

    SMILES
    CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 56.74%
    Fruity 52.67%
    Fatty 50.65%
    Winey 42.22%
    Waxy 33.74%
    Peach 30.65%
    Odorless 29.88%
    Herbal 29.31%
    Lactonic 28.91%
    Buttery 27.52%

     

    Flavor
    Waxy 55.46%
    Fruity 54.26%
    Oily 43.26%
    Green 35.12%
    Fatty 34.44%
    Sweet 33.91%
    Wine 33.12%
    Soapy 31.34%
    Mild 31.31%
    Creamy 29.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.9

    pKa est.
    7.13 (neutral)

    Molecular weight
    640.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    536°C

    Flash point

    • 242.11 ˚C est.

  • Synonyms

    • Pentaerythritol tetracaprylate
    • pentaerythrityl tetracaprylate
    • 3008-50-2
    • 8CW55ZFK6U
    • EINECS 221-123-8
    • 2,2-BIS[[(1-OXOOCTYL)OXY]METHYL]-1,3-PROPANEDIYL DIOCTANOATE
    • Octanoic acid, 2,2-bis(((1-oxooctyl)oxy)methyl)-1,3-propanediyl ester
    • Octanoic acid, 1,1'-(2,2-bis(((1-oxooctyl)oxy)methyl)-1,3-propanediyl) ester
    • 2,2-Bis(((1-oxooctyl)oxy)methyl)-1,3-propanediyl dioctanoate
    • Octanoic acid, 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester
    • Octanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
    • RefChem:859776
    • Octanoic acid, 2,2-bis(1-oxooctyl)oxymethyl-1,3-propanediyl ester
    • 221-123-8
    • pentaerythritol octanoate
    • UNII-8CW55ZFK6U
    • pentaerythritoltetraoctanoat
    • SCHEMBL33637
    • DTXSID00863076
    • NS00048213
    • Q27270199
    • 2,2-Bis[(octanoyloxy)methyl]propane-1,3-diyl dioctanoate
    • 3008-50-2

  • Applications

    Pentaerythrityl tetracaprylate (CAS 3008-50-2) is used primarily as a non-volatile emollient and skin-conditioning ester in cosmetics and personal care formulations, providing a light, non-greasy feel in creams, lotions, and color cosmetics; it also serves as a solvent or carrier for fragrances and other actives. In polymers and coatings, it can function as a plasticizer or processing aid, helping to improve flexibility, processing characteristics, and gloss. In industrial manufacturing, it may be used as a lubricant or processing additive to enhance slip and formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.56
    methanol 71.02
    isopropanol 38.68
    water 2.72
    ethyl acetate 274.69
    n-propanol 59.7
    acetone 262.49
    n-butanol 45.46
    acetonitrile 108.9
    DMF 536.16
    toluene 121.82
    isobutanol 54.57
    1,4-dioxane 148.49
    methyl acetate 259.04
    THF 366.47
    2-butanone 269.78
    n-pentanol 48.24
    sec-butanol 61.34
    n-hexane 10.06
    ethylene glycol 17.08
    NMP 1565.36
    cyclohexane 14.74
    DMSO 457.47
    n-butyl acetate 135.92
    n-octanol 39.87
    chloroform 824.67
    n-propyl acetate 200.99
    acetic acid 326.44
    dichloromethane 808.53
    cyclohexanone 480.62
    propylene glycol 38.96
    isopropyl acetate 207.19
    DMAc 1114.45
    2-ethoxyethanol 129.08
    isopentanol 48.47
    n-heptane 6.16
    ethyl formate 144.63
    1,2-dichloroethane 413.28
    n-hexanol 27.79
    2-methoxyethanol 150.83
    isobutyl acetate 122.47
    tetrachloromethane 137.12
    n-pentyl acetate 218.37
    transcutol 422.02
    n-heptanol 34.96
    ethylbenzene 65.9
    MIBK 143.18
    2-propoxyethanol 110.2
    tert-butanol 58.8
    MTBE 91.91
    2-butoxyethanol 122.95
    propionic acid 235.64
    o-xylene 119.32
    formic acid 140.84
    diethyl ether 70.32
    m-xylene 94.61
    p-xylene 94.2
    chlorobenzene 234.16
    dimethyl carbonate 265.96
    n-octane 4.58
    formamide 217.34
    cyclopentanone 649.66
    2-pentanone 209.48
    anisole 127.49
    cyclopentyl methyl ether 225.95
    gamma-butyrolactone 925.24
    1-methoxy-2-propanol 166.03
    pyridine 278.46
    3-pentanone 257.29
    furfural 707.69
    n-dodecane 3.24
    diethylene glycol 66.42
    diisopropyl ether 34.16
    tert-amyl alcohol 89.71
    acetylacetone 422.68
    n-hexadecane 3.76
    acetophenone 254.5
    methyl propionate 335.79
    isopentyl acetate 127.58
    trichloroethylene 1119.86
    n-nonanol 40.83
    cyclohexanol 94.22
    benzyl alcohol 102.5
    2-ethylhexanol 28.56
    isooctanol 35.33
    dipropyl ether 57.85
    1,2-dichlorobenzene 315.54
    ethyl lactate 136.09
    propylene carbonate 563.77
    n-methylformamide 265.87
    2-pentanol 41.57
    n-pentane 6.85
    1-propoxy-2-propanol 104.95
    1-methoxy-2-propyl acetate 213.44
    2-(2-methoxypropoxy) propanol 148.47
    mesitylene 57.74
    ε-caprolactone 536.63
    p-cymene 40.71
    epichlorohydrin 599.93
    1,1,1-trichloroethane 544.31
    2-aminoethanol 43.7
    morpholine-4-carbaldehyde 616.76
    sulfolane 1550.18
    2,2,4-trimethylpentane 10.19
    2-methyltetrahydrofuran 263.88
    n-hexyl acetate 197.84
    isooctane 4.02
    2-(2-butoxyethoxy)ethanol 154.99
    sec-butyl acetate 149.42
    tert-butyl acetate 238.19
    decalin 14.94
    glycerin 83.33
    diglyme 346.99
    acrylic acid 246.6
    isopropyl myristate 61.71
    n-butyric acid 264.68
    acetyl acetate 293.14
    di(2-ethylhexyl) phthalate 87.96
    ethyl propionate 217.57
    nitromethane 717.31
    1,2-diethoxyethane 140.0
    benzonitrile 144.76
    trioctyl phosphate 56.07
    1-bromopropane 147.1
    gamma-valerolactone 857.0
    n-decanol 25.79
    triethyl phosphate 117.56
    4-methyl-2-pentanol 31.37
    propionitrile 100.38
    vinylene carbonate 536.6
    1,1,2-trichlorotrifluoroethane 654.33
    DMS 279.98
    cumene 46.82
    2-octanol 32.25
    2-hexanone 158.06
    octyl acetate 88.72
    limonene 57.94
    1,2-dimethoxyethane 196.08
    ethyl orthosilicate 97.55
    tributyl phosphate 77.99
    diacetone alcohol 224.8
    N,N-dimethylaniline 114.24
    acrylonitrile 156.75
    aniline 126.46
    1,3-propanediol 55.65
    bromobenzene 282.54
    dibromomethane 408.95
    1,1,2,2-tetrachloroethane 898.88
    2-methyl-cyclohexyl acetate 135.73
    tetrabutyl urea 111.32
    diisobutyl methanol 22.31
    2-phenylethanol 67.12
    styrene 80.43
    dioctyl adipate 132.06
    dimethyl sulfate 705.77
    ethyl butyrate 152.37
    methyl lactate 230.41
    butyl lactate 188.46
    diethyl carbonate 113.95
    propanediol butyl ether 124.73
    triethyl orthoformate 119.39
    p-tert-butyltoluene 38.85
    methyl 4-tert-butylbenzoate 285.84
    morpholine 202.12
    tert-butylamine 33.13
    n-dodecanol 17.63
    dimethoxymethane 258.52
    ethylene carbonate 389.98
    cyrene 251.0
    2-ethoxyethyl acetate 320.73
    2-ethylhexyl acetate 110.77
    1,2,4-trichlorobenzene 440.84
    4-methylpyridine 297.3
    dibutyl ether 61.28
    2,6-dimethyl-4-heptanol 22.31
    DEF 355.03
    dimethyl isosorbide 322.34
    tetrachloroethylene 568.69
    eugenol 187.86
    triacetin 425.57
    span 80 132.14
    1,4-butanediol 34.79
    1,1-dichloroethane 364.34
    2-methyl-1-pentanol 53.03
    methyl formate 232.98
    2-methyl-1-butanol 61.02
    n-decane 6.75
    butyronitrile 75.66
    3,7-dimethyl-1-octanol 41.69
    1-chlorooctane 39.76
    1-chlorotetradecane 13.67
    n-nonane 6.2
    undecane 4.38
    tert-butylcyclohexane 11.74
    cyclooctane 7.29
    cyclopentanol 120.96
    tetrahydropyran 148.69
    tert-amyl methyl ether 118.78
    2,5,8-trioxanonane 207.97
    1-hexene 31.69
    2-isopropoxyethanol 104.34
    2,2,2-trifluoroethanol 256.06
    methyl butyrate 267.49

    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