PEG-3 Diisostearate

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  • Identifiers

    CAS number
    68958-56-5

    Molecular formula
    C42H82O6

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.19%
    Fatty 48.88%
    Odorless 38.77%
    Oily 37.99%
    Alcoholic 23.18%
    Sweet 20.03%
    Creamy 19.2%
    Buttery 16.4%
    Clean 16.37%
    Milky 15.94%

     

    Flavor
    Waxy 59.05%
    Oily 48.98%
    Fatty 44.37%
    Mild 44.22%
    Soapy 33.45%
    Bland 33.16%
    Faint 29.29%
    Creamy 29.03%
    Fat 27.69%
    Coconut 27.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.0

    pKa est.
    9.97 (weak base)

    Molecular weight
    683.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    618°C

    Flash point

    • 266.89 ˚C est.

  • Synonyms

    • PEG-3 diisostearate
    • 8NL22B6JG0
    • EMALEX TEG-DI-IS
    • RefChem:1094418
    • 68958-56-5
    • SCHEMBL28835957
    • Q27270789
    • 68958-56-5

  • Applications

    PEG-3 Diisostearate (CAS 68958-56-5) is used primarily as a mild nonionic surfactant and emollient in cosmetics and personal care, providing skin conditioning, slip, and helping stabilize formulations. It also serves as an emulsifier, wetting agent, and light solvent in household and cleaning products, improving formulation compatibility and emulsion stability. Additionally, it is employed as a lubricant or processing aid in coatings, inks, and polymer formulations to enhance flow and dispersion of components. Its PEG-based structure may allow use as a plasticizer or conditioning additive for plastics and coatings to improve smoothness and handling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.45
    methanol 1.89
    isopropanol 1.3
    water 0.03
    ethyl acetate 28.59
    n-propanol 2.66
    acetone 15.33
    n-butanol 2.69
    acetonitrile 6.04
    DMF 23.95
    toluene 18.21
    isobutanol 2.45
    1,4-dioxane 26.22
    methyl acetate 19.31
    THF 70.53
    2-butanone 24.79
    n-pentanol 3.84
    sec-butanol 3.37
    n-hexane 2.54
    ethylene glycol 0.29
    NMP 163.0
    cyclohexane 8.35
    DMSO 32.23
    n-butyl acetate 25.69
    n-octanol 7.51
    chloroform 160.16
    n-propyl acetate 31.91
    acetic acid 13.72
    dichloromethane 153.58
    cyclohexanone 87.81
    propylene glycol 0.76
    isopropyl acetate 27.11
    DMAc 95.0
    2-ethoxyethanol 11.13
    isopentanol 3.53
    n-heptane 2.65
    ethyl formate 12.63
    1,2-dichloroethane 67.14
    n-hexanol 3.08
    2-methoxyethanol 8.0
    isobutyl acetate 21.46
    tetrachloromethane 29.87
    n-pentyl acetate 54.3
    transcutol 90.95
    n-heptanol 5.62
    ethylbenzene 13.82
    MIBK 19.84
    2-propoxyethanol 11.69
    tert-butanol 2.91
    MTBE 12.24
    2-butoxyethanol 20.75
    propionic acid 10.1
    o-xylene 18.84
    formic acid 3.48
    diethyl ether 8.94
    m-xylene 14.84
    p-xylene 19.83
    chlorobenzene 37.48
    dimethyl carbonate 13.66
    n-octane 1.67
    formamide 6.47
    cyclopentanone 93.76
    2-pentanone 22.05
    anisole 24.89
    cyclopentyl methyl ether 46.72
    gamma-butyrolactone 107.64
    1-methoxy-2-propanol 9.35
    pyridine 43.29
    3-pentanone 29.07
    furfural 84.49
    n-dodecane 0.99
    diethylene glycol 3.95
    diisopropyl ether 6.65
    tert-amyl alcohol 6.9
    acetylacetone 47.52
    n-hexadecane 1.21
    acetophenone 42.91
    methyl propionate 24.51
    isopentyl acetate 28.97
    trichloroethylene 175.76
    n-nonanol 8.86
    cyclohexanol 10.9
    benzyl alcohol 11.82
    2-ethylhexanol 5.96
    isooctanol 7.09
    dipropyl ether 15.71
    1,2-dichlorobenzene 60.22
    ethyl lactate 14.86
    propylene carbonate 64.22
    n-methylformamide 9.37
    2-pentanol 3.01
    n-pentane 1.26
    1-propoxy-2-propanol 15.22
    1-methoxy-2-propyl acetate 35.78
    2-(2-methoxypropoxy) propanol 31.27
    mesitylene 11.59
    ε-caprolactone 96.43
    p-cymene 11.5
    epichlorohydrin 100.15
    1,1,1-trichloroethane 100.01
    2-aminoethanol 1.1
    morpholine-4-carbaldehyde 69.66
    sulfolane 209.21
    2,2,4-trimethylpentane 2.72
    2-methyltetrahydrofuran 52.34
    n-hexyl acetate 47.95
    isooctane 1.08
    2-(2-butoxyethoxy)ethanol 30.64
    sec-butyl acetate 29.64
    tert-butyl acetate 43.89
    decalin 6.16
    glycerin 2.01
    diglyme 90.39
    acrylic acid 9.33
    isopropyl myristate 15.42
    n-butyric acid 19.66
    acetyl acetate 32.95
    di(2-ethylhexyl) phthalate 16.34
    ethyl propionate 34.14
    nitromethane 39.75
    1,2-diethoxyethane 37.68
    benzonitrile 19.25
    trioctyl phosphate 10.16
    1-bromopropane 28.71
    gamma-valerolactone 129.88
    n-decanol 5.34
    triethyl phosphate 31.24
    4-methyl-2-pentanol 3.11
    propionitrile 6.76
    vinylene carbonate 52.48
    1,1,2-trichlorotrifluoroethane 79.23
    DMS 32.77
    cumene 10.72
    2-octanol 6.24
    2-hexanone 27.09
    octyl acetate 18.92
    limonene 18.15
    1,2-dimethoxyethane 36.08
    ethyl orthosilicate 29.23
    tributyl phosphate 15.47
    diacetone alcohol 28.17
    N,N-dimethylaniline 22.7
    acrylonitrile 8.9
    aniline 13.06
    1,3-propanediol 1.98
    bromobenzene 52.53
    dibromomethane 80.08
    1,1,2,2-tetrachloroethane 168.87
    2-methyl-cyclohexyl acetate 40.24
    tetrabutyl urea 24.33
    diisobutyl methanol 5.38
    2-phenylethanol 10.15
    styrene 14.77
    dioctyl adipate 31.06
    dimethyl sulfate 46.88
    ethyl butyrate 36.46
    methyl lactate 11.22
    butyl lactate 33.08
    diethyl carbonate 23.68
    propanediol butyl ether 14.25
    triethyl orthoformate 40.0
    p-tert-butyltoluene 11.14
    methyl 4-tert-butylbenzoate 59.13
    morpholine 29.02
    tert-butylamine 2.5
    n-dodecanol 3.52
    dimethoxymethane 16.82
    ethylene carbonate 43.25
    cyrene 44.45
    2-ethoxyethyl acetate 68.54
    2-ethylhexyl acetate 29.04
    1,2,4-trichlorobenzene 82.11
    4-methylpyridine 39.33
    dibutyl ether 21.52
    2,6-dimethyl-4-heptanol 5.38
    DEF 39.22
    dimethyl isosorbide 87.78
    tetrachloroethylene 98.29
    eugenol 36.92
    triacetin 83.78
    span 80 25.24
    1,4-butanediol 1.34
    1,1-dichloroethane 50.41
    2-methyl-1-pentanol 5.86
    methyl formate 9.19
    2-methyl-1-butanol 4.36
    n-decane 2.53
    butyronitrile 6.86
    3,7-dimethyl-1-octanol 9.16
    1-chlorooctane 12.73
    1-chlorotetradecane 3.62
    n-nonane 2.3
    undecane 1.47
    tert-butylcyclohexane 4.13
    cyclooctane 3.69
    cyclopentanol 11.1
    tetrahydropyran 35.32
    tert-amyl methyl ether 19.09
    2,5,8-trioxanonane 49.68
    1-hexene 6.23
    2-isopropoxyethanol 10.62
    2,2,2-trifluoroethanol 11.43
    methyl butyrate 42.1

    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