Pentaerythrityl Tetraisostearate

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  • Identifiers

    CAS number
    62125-22-8

    Molecular formula
    C77H148O8

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C

  • Odor profile

    Fragrance
    Waxy 71.91%
    Fatty 48.59%
    Oily 41.11%
    Odorless 37.6%
    Woody 23.73%
    Balsamic 20.61%
    Alcoholic 18.27%
    Creamy 18.2%
    Amber 17.24%
    Sweet 17.01%

     

    Flavor
    Waxy 44.33%
    Mild 40.67%
    Bland 38.68%
    Oily 37.55%
    Fatty 33.22%
    Faint 31.3%
    Slightly waxy 23.96%
    Odorless 23.61%
    Beer 22.54%
    Fat 22.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    32.4

    pKa est.
    11.34 (strong base)

    Molecular weight
    1202.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    663°C

    Flash point

    • 326.71 ˚C est.

  • Synonyms

    • Pentaerythritol tetraisostearate
    • 62125-22-8
    • Pentaerythityl tetraisostearate
    • pentaerythrityl tetraisostearate
    • UNII-9D7IK5483F
    • CRODAMOL PTIS
    • PELEMOL PTIS
    • DUB PTIS
    • KAK PTI
    • 9D7IK5483F
    • EINECS 263-423-1
    • HEST P-4IS
    • [3-(16-methylheptadecanoyloxy)-2,2-bis(16-methylheptadecanoyloxymethyl)propyl] 16-methylheptadecanoate
    • SALACOS 5418V
    • COSMOL 5418V
    • CORUM 5041
    • pentaerythritol tetraisooctanoate
    • DTXSID90894450
    • EC 263-423-1
    • 2,2-Hydroxymethyl-1,3-propanediol tetraisostearate
    • AEC PENTAERYTHRITYL TETRAISOSTEARATE
    • 2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl bis(isooctadecanoate)
    • Isooctadecanoic acid, 2,2-bis(((1-oxoisooctadecyl)oxy)methyl)-1,3-propanediyl ester
    • 2,2-BIS(((1-ISOOCTADECYL)OXY)METHYL)-1,3-PROPANEDIYL ISOOCTADECANOATE
    • 2,2-Bis(((1-oxoisooctadecyl)oxy)methyl)-1,3-propanediyl bis(isooctadecanoate)
    • SCHEMBL3663166
    • LPGFSDGXTDNTCB-UHFFFAOYSA-N
    • DTXCID801477317
    • Isooctadecanoic acid, 1,1'-(2,2-bis(((1-oxoisooctadecyl)oxy)methyl)-1,3-propanediyl) ester
    • NS00007736
    • PENTAERYTHRITYL TETRAISOSTEARATE [INCI]
    • Q27272387
    • 263-423-1

  • Applications

    Pentaerythrityl Tetraisostearate is a high-molecular-weight, oil-like ester widely used in cosmetics and personal care as an emollient and texture enhancer in creams, lotions, and lip products; it also serves as a plasticizer and processing aid in polymer systems to improve flexibility and flow in coatings, inks, and adhesives; in perfumery formulations it can serve as a fragrance carrier, helping dissolve and deliver fragrance ingredients; and in household products it provides an emollient base that can enhance feel and conditioning in cleaners and detergents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.14
    methanol 36.42
    isopropanol 26.19
    water 0.77
    ethyl acetate 164.97
    n-propanol 41.86
    acetone 160.11
    n-butanol 32.18
    acetonitrile 60.82
    DMF 278.78
    toluene 87.14
    isobutanol 37.15
    1,4-dioxane 115.41
    methyl acetate 143.48
    THF 314.46
    2-butanone 172.5
    n-pentanol 35.92
    sec-butanol 41.82
    n-hexane 7.34
    ethylene glycol 7.85
    NMP 870.05
    cyclohexane 11.48
    DMSO 231.15
    n-butyl acetate 106.93
    n-octanol 33.19
    chloroform 592.96
    n-propyl acetate 150.33
    acetic acid 190.74
    dichloromethane 513.65
    cyclohexanone 363.44
    propylene glycol 23.07
    isopropyl acetate 148.48
    DMAc 557.39
    2-ethoxyethanol 92.38
    isopentanol 33.7
    n-heptane 5.44
    ethyl formate 96.83
    1,2-dichloroethane 239.32
    n-hexanol 22.23
    2-methoxyethanol 94.6
    isobutyl acetate 106.71
    tetrachloromethane 102.52
    n-pentyl acetate 183.96
    transcutol 321.03
    n-heptanol 30.97
    ethylbenzene 51.42
    MIBK 114.88
    2-propoxyethanol 89.36
    tert-butanol 38.63
    MTBE 65.15
    2-butoxyethanol 106.85
    propionic acid 127.66
    o-xylene 83.23
    formic acid 63.8
    diethyl ether 44.55
    m-xylene 72.48
    p-xylene 79.36
    chlorobenzene 165.9
    dimethyl carbonate 145.75
    n-octane 3.74
    formamide 94.59
    cyclopentanone 504.22
    2-pentanone 141.48
    anisole 100.64
    cyclopentyl methyl ether 182.78
    gamma-butyrolactone 642.6
    1-methoxy-2-propanol 112.82
    pyridine 205.53
    3-pentanone 153.15
    furfural 466.03
    n-dodecane 2.36
    diethylene glycol 41.57
    diisopropyl ether 26.76
    tert-amyl alcohol 57.56
    acetylacetone 298.22
    n-hexadecane 2.8
    acetophenone 185.62
    methyl propionate 188.76
    isopentyl acetate 106.36
    trichloroethylene 703.89
    n-nonanol 34.23
    cyclohexanol 68.55
    benzyl alcohol 78.61
    2-ethylhexanol 24.73
    isooctanol 33.23
    dipropyl ether 49.69
    1,2-dichlorobenzene 216.26
    ethyl lactate 98.55
    propylene carbonate 361.27
    n-methylformamide 135.17
    2-pentanol 30.71
    n-pentane 4.92
    1-propoxy-2-propanol 91.74
    1-methoxy-2-propyl acetate 165.11
    2-(2-methoxypropoxy) propanol 119.19
    mesitylene 48.62
    ε-caprolactone 390.29
    p-cymene 37.78
    epichlorohydrin 428.07
    1,1,1-trichloroethane 364.93
    2-aminoethanol 24.51
    morpholine-4-carbaldehyde 385.42
    sulfolane 996.28
    2,2,4-trimethylpentane 7.6
    2-methyltetrahydrofuran 201.41
    n-hexyl acetate 158.76
    isooctane 3.72
    2-(2-butoxyethoxy)ethanol 125.11
    sec-butyl acetate 123.37
    tert-butyl acetate 189.73
    decalin 12.18
    glycerin 43.61
    diglyme 285.75
    acrylic acid 128.77
    isopropyl myristate 47.44
    n-butyric acid 171.09
    acetyl acetate 194.58
    di(2-ethylhexyl) phthalate 69.12
    ethyl propionate 152.0
    nitromethane 393.35
    1,2-diethoxyethane 105.03
    benzonitrile 102.46
    trioctyl phosphate 41.21
    1-bromopropane 102.09
    gamma-valerolactone 649.53
    n-decanol 20.44
    triethyl phosphate 87.11
    4-methyl-2-pentanol 25.4
    propionitrile 60.7
    vinylene carbonate 338.23
    1,1,2-trichlorotrifluoroethane 430.07
    DMS 173.81
    cumene 39.61
    2-octanol 28.31
    2-hexanone 130.51
    octyl acetate 64.2
    limonene 47.88
    1,2-dimethoxyethane 144.87
    ethyl orthosilicate 76.18
    tributyl phosphate 58.65
    diacetone alcohol 180.51
    N,N-dimethylaniline 89.35
    acrylonitrile 87.61
    aniline 91.27
    1,3-propanediol 33.74
    bromobenzene 200.21
    dibromomethane 269.9
    1,1,2,2-tetrachloroethane 597.58
    2-methyl-cyclohexyl acetate 118.27
    tetrabutyl urea 84.75
    diisobutyl methanol 20.11
    2-phenylethanol 57.69
    styrene 58.37
    dioctyl adipate 97.07
    dimethyl sulfate 394.44
    ethyl butyrate 123.54
    methyl lactate 135.62
    butyl lactate 156.88
    diethyl carbonate 84.24
    propanediol butyl ether 102.16
    triethyl orthoformate 107.09
    p-tert-butyltoluene 37.88
    methyl 4-tert-butylbenzoate 230.3
    morpholine 151.3
    tert-butylamine 22.15
    n-dodecanol 13.12
    dimethoxymethane 153.68
    ethylene carbonate 249.15
    cyrene 198.52
    2-ethoxyethyl acetate 241.37
    2-ethylhexyl acetate 93.71
    1,2,4-trichlorobenzene 299.31
    4-methylpyridine 202.55
    dibutyl ether 50.35
    2,6-dimethyl-4-heptanol 20.11
    DEF 209.36
    dimethyl isosorbide 287.28
    tetrachloroethylene 358.25
    eugenol 154.89
    triacetin 318.73
    span 80 107.3
    1,4-butanediol 20.5
    1,1-dichloroethane 235.45
    2-methyl-1-pentanol 40.06
    methyl formate 133.98
    2-methyl-1-butanol 42.46
    n-decane 5.5
    butyronitrile 48.58
    3,7-dimethyl-1-octanol 35.32
    1-chlorooctane 31.73
    1-chlorotetradecane 9.72
    n-nonane 5.06
    undecane 3.34
    tert-butylcyclohexane 10.12
    cyclooctane 6.05
    cyclopentanol 86.93
    tetrahydropyran 121.79
    tert-amyl methyl ether 82.29
    2,5,8-trioxanonane 156.33
    1-hexene 23.89
    2-isopropoxyethanol 80.21
    2,2,2-trifluoroethanol 131.89
    methyl butyrate 190.53

    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