Pentaerythrityl Tetraisononanoate

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  • Identifiers

    CAS number
    93803-89-5

    Molecular formula
    C41H76O8

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

    Safety labels

  • Odor profile

    Fragrance
    Oily 40.09%
    Odorless 38.02%
    Herbal 30.21%
    Waxy 29.82%
    Fatty 29.27%
    Fruity 27.69%
    Woody 25.07%
    Peach 21.63%
    Lactonic 21.37%
    Mint 21.15%

     

    Flavor
    Fruity 40.49%
    Waxy 39.34%
    Oily 38.46%
    Mild 31.36%
    Green 28.29%
    Bland 24.51%
    Fatty 24.49%
    Soapy 24.43%
    Tropical 23.44%
    Beer 22.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.9

    pKa est.
    8.22 (weak base)

    Molecular weight
    697.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    538°C

    Flash point

    • 237.66 ˚C est.

  • Synonyms

    • Pentaerythrityl tetraisononanoate
    • 93803-89-5
    • UNII-8NR9444E9U
    • 8NR9444E9U
    • EINECS 298-364-0
    • EC 298-364-0
    • PELEMOL P 49
    • 2,2-Bis(((1-oxoisononyl)oxy)methyl)-1,3-propanediyl diisononanoate
    • 2,2-Bis(((1-oxoisononyl)oxy)methyl)-1,3-propanediyl isononanoate
    • PENTAERYTHRITOL TETRAISONANOATE
    • 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl diisononanoate
    • RefChem:171355
    • PENTAERYTHRITYL TETRAISONONANOATE [INCI]
    • Isononanoic acid, 2,2-bis(((1-oxoisononyl)oxy)methyl)-1,3-propanediyl ester
    • [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate
    • SCHEMBL6275633
    • DTXSID40917865
    • PPKAGMLCLQWXJX-UHFFFAOYSA-N
    • NS00006105
    • Q27270792
    • 2,2-Bis{[(7-methyloctanoyl)oxy]methyl}propane-1,3-diyl bis(7-methyloctanoate)
    • Isononanoic acid,1,1'-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl]ester
    • 93803-89-5

  • Applications

    Pentaerythrityl Tetraisononanoate (CAS 93803-89-5) is predominantly used as a bulky, high-molecular-weight ester that functions as an emollient in cosmetics and personal care formulations, delivering skin-conditioning properties. It is commonly employed as a plasticizer in polymers and coatings to improve flexibility, processability, and film formation, particularly in PVC, polyolefins, and related resin systems. In the lubricants sector, it serves as a synthetic lubricant base oil or component of ester lubricants with good thermo-oxidative stability. It can act as a plasticizer and rheology modifier in coatings and inks, helping to adjust gloss and flow. It is also used as an additive in adhesives and sealants to enhance flexibility and compatibility of resin systems. Where relevant, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.75
    methanol 45.53
    isopropanol 28.55
    water 0.87
    ethyl acetate 121.91
    n-propanol 42.49
    acetone 146.69
    n-butanol 28.95
    acetonitrile 49.19
    DMF 251.45
    toluene 58.15
    isobutanol 36.87
    1,4-dioxane 81.49
    methyl acetate 119.9
    THF 229.21
    2-butanone 141.57
    n-pentanol 35.84
    sec-butanol 39.96
    n-hexane 5.31
    ethylene glycol 9.68
    NMP 714.43
    cyclohexane 5.56
    DMSO 233.0
    n-butyl acetate 77.56
    n-octanol 28.15
    chloroform 455.04
    n-propyl acetate 110.24
    acetic acid 204.38
    dichloromethane 396.96
    cyclohexanone 236.92
    propylene glycol 28.6
    isopropyl acetate 105.45
    DMAc 518.26
    2-ethoxyethanol 90.51
    isopentanol 29.36
    n-heptane 3.34
    ethyl formate 73.56
    1,2-dichloroethane 190.01
    n-hexanol 20.02
    2-methoxyethanol 95.02
    isobutyl acetate 80.64
    tetrachloromethane 67.24
    n-pentyl acetate 122.39
    transcutol 292.87
    n-heptanol 26.22
    ethylbenzene 36.16
    MIBK 82.27
    2-propoxyethanol 83.7
    tert-butanol 39.14
    MTBE 53.06
    2-butoxyethanol 91.84
    propionic acid 121.65
    o-xylene 55.09
    formic acid 74.66
    diethyl ether 35.21
    m-xylene 49.21
    p-xylene 57.1
    chlorobenzene 103.72
    dimethyl carbonate 111.75
    n-octane 2.41
    formamide 99.56
    cyclopentanone 334.06
    2-pentanone 108.06
    anisole 73.04
    cyclopentyl methyl ether 124.31
    gamma-butyrolactone 452.19
    1-methoxy-2-propanol 110.07
    pyridine 136.59
    3-pentanone 114.14
    furfural 317.38
    n-dodecane 1.66
    diethylene glycol 45.43
    diisopropyl ether 18.99
    tert-amyl alcohol 53.89
    acetylacetone 210.66
    n-hexadecane 1.92
    acetophenone 130.89
    methyl propionate 150.25
    isopentyl acetate 78.05
    trichloroethylene 527.59
    n-nonanol 28.24
    cyclohexanol 50.66
    benzyl alcohol 63.47
    2-ethylhexanol 18.91
    isooctanol 26.59
    dipropyl ether 34.17
    1,2-dichlorobenzene 133.46
    ethyl lactate 77.03
    propylene carbonate 252.81
    n-methylformamide 126.53
    2-pentanol 25.77
    n-pentane 3.35
    1-propoxy-2-propanol 79.1
    1-methoxy-2-propyl acetate 131.31
    2-(2-methoxypropoxy) propanol 107.15
    mesitylene 31.05
    ε-caprolactone 266.48
    p-cymene 24.19
    epichlorohydrin 323.14
    1,1,1-trichloroethane 259.01
    2-aminoethanol 29.4
    morpholine-4-carbaldehyde 317.66
    sulfolane 708.36
    2,2,4-trimethylpentane 5.09
    2-methyltetrahydrofuran 143.26
    n-hexyl acetate 118.7
    isooctane 2.44
    2-(2-butoxyethoxy)ethanol 111.16
    sec-butyl acetate 85.64
    tert-butyl acetate 133.15
    decalin 7.09
    glycerin 50.7
    diglyme 225.49
    acrylic acid 128.21
    isopropyl myristate 34.1
    n-butyric acid 143.56
    acetyl acetate 134.71
    di(2-ethylhexyl) phthalate 53.57
    ethyl propionate 109.33
    nitromethane 339.91
    1,2-diethoxyethane 84.4
    benzonitrile 72.21
    trioctyl phosphate 33.01
    1-bromopropane 75.26
    gamma-valerolactone 453.46
    n-decanol 17.26
    triethyl phosphate 61.53
    4-methyl-2-pentanol 20.54
    propionitrile 48.54
    vinylene carbonate 232.3
    1,1,2-trichlorotrifluoroethane 344.9
    DMS 135.8
    cumene 28.64
    2-octanol 22.17
    2-hexanone 98.43
    octyl acetate 49.36
    limonene 29.81
    1,2-dimethoxyethane 121.65
    ethyl orthosilicate 52.36
    tributyl phosphate 43.69
    diacetone alcohol 142.46
    N,N-dimethylaniline 69.25
    acrylonitrile 71.35
    aniline 64.49
    1,3-propanediol 37.61
    bromobenzene 123.35
    dibromomethane 214.71
    1,1,2,2-tetrachloroethane 451.41
    2-methyl-cyclohexyl acetate 83.39
    tetrabutyl urea 62.85
    diisobutyl methanol 14.63
    2-phenylethanol 47.53
    styrene 40.47
    dioctyl adipate 70.73
    dimethyl sulfate 303.16
    ethyl butyrate 82.85
    methyl lactate 115.02
    butyl lactate 116.24
    diethyl carbonate 57.39
    propanediol butyl ether 97.7
    triethyl orthoformate 69.46
    p-tert-butyltoluene 24.11
    methyl 4-tert-butylbenzoate 169.56
    morpholine 113.84
    tert-butylamine 20.72
    n-dodecanol 10.94
    dimethoxymethane 135.45
    ethylene carbonate 166.88
    cyrene 159.26
    2-ethoxyethyl acetate 178.4
    2-ethylhexyl acetate 66.4
    1,2,4-trichlorobenzene 198.26
    4-methylpyridine 145.05
    dibutyl ether 34.99
    2,6-dimethyl-4-heptanol 14.63
    DEF 158.58
    dimethyl isosorbide 214.05
    tetrachloroethylene 264.22
    eugenol 118.18
    triacetin 231.33
    span 80 92.72
    1,4-butanediol 24.16
    1,1-dichloroethane 181.25
    2-methyl-1-pentanol 36.09
    methyl formate 115.26
    2-methyl-1-butanol 38.04
    n-decane 3.7
    butyronitrile 38.7
    3,7-dimethyl-1-octanol 29.17
    1-chlorooctane 22.09
    1-chlorotetradecane 6.84
    n-nonane 3.36
    undecane 2.33
    tert-butylcyclohexane 6.78
    cyclooctane 3.08
    cyclopentanol 66.61
    tetrahydropyran 79.23
    tert-amyl methyl ether 65.87
    2,5,8-trioxanonane 132.55
    1-hexene 18.67
    2-isopropoxyethanol 76.6
    2,2,2-trifluoroethanol 126.78
    methyl butyrate 134.99

    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