Neopentyl Glycol Diisostearate

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  • Identifiers

    CAS number
    109884-54-0

    Molecular formula
    C41H80O4

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.19%
    Fatty 54.11%
    Oily 44.3%
    Odorless 35.3%
    Woody 25.25%
    Balsamic 21.84%
    Creamy 21.6%
    Sweet 18.93%
    Amber 18.4%
    Milky 18.09%

     

    Flavor
    Waxy 48.55%
    Oily 44.02%
    Mild 41.62%
    Bland 35.14%
    Fatty 34.2%
    Faint 29.84%
    Fat 25.47%
    Slightly waxy 24.6%
    Soapy 24.45%
    Beer 23.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.4

    pKa est.
    10.17 (weak base)

    Molecular weight
    637.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    559°C

    Flash point

    • 260.66 ˚C est.

  • Synonyms

    • Neopentyl glycol disostearate
    • 109884-54-0
    • UNII-4M6OQ34JWW
    • Isooctadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
    • 4M6OQ34JWW
    • neopentyl glycol diisostearate
    • Isooctadecanoic acid, 2,2-dimethyl-1,3-propanediyl ester
    • RefChem:165337
    • NEOPENTYL GLYCOL DIISOSTEARATE [INCI]
    • 807-674-2
    • Neopentyl glycol diisooctadecanoate
    • [2,2-dimethyl-3-(16-methylheptadecanoyloxy)propyl] 16-methylheptadecanoate
    • SCHEMBL29361777
    • AWNFRSYMBMFGLK-UHFFFAOYSA-N
    • Q27260083
    • 109884-54-0

  • Applications

    Neopentyl Glycol Diisostearate (CAS 109884-54-0) is the diester of neopentyl glycol and isostearic acid. In cosmetic and personal care formulations it commonly serves as an emollient and skin-conditioning ester, contributing to slip and a soft skin feel. It is often used as a plasticizer in polymer systems to improve flexibility and processability of plastics such as PVC and other resins. In coatings and inks, it may function as a plasticizer or processing aid to enhance handling and film properties. It can also be used as a plasticizer/processing aid in adhesives formulations, helping to increase flexibility and bonding characteristics. Depending on formulation, it may be used as a solvent or co-solvent in cleaning formulations to improve solubilization of other ingredients, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.73
    methanol 20.0
    isopropanol 27.54
    water 0.23
    ethyl acetate 260.22
    n-propanol 39.33
    acetone 161.04
    n-butanol 41.43
    acetonitrile 49.12
    DMF 196.95
    toluene 122.2
    isobutanol 42.98
    1,4-dioxane 181.48
    methyl acetate 158.75
    THF 512.03
    2-butanone 218.05
    n-pentanol 51.0
    sec-butanol 55.84
    n-hexane 26.98
    ethylene glycol 2.48
    NMP 627.49
    cyclohexane 67.39
    DMSO 166.58
    n-butyl acetate 242.98
    n-octanol 86.45
    chloroform 742.3
    n-propyl acetate 272.26
    acetic acid 98.09
    dichloromethane 664.79
    cyclohexanone 577.2
    propylene glycol 9.17
    isopropyl acetate 267.13
    DMAc 533.67
    2-ethoxyethanol 97.85
    isopentanol 56.45
    n-heptane 23.67
    ethyl formate 104.89
    1,2-dichloroethane 374.11
    n-hexanol 45.32
    2-methoxyethanol 78.98
    isobutyl acetate 216.64
    tetrachloromethane 161.39
    n-pentyl acetate 447.19
    transcutol 511.35
    n-heptanol 72.27
    ethylbenzene 91.83
    MIBK 214.58
    2-propoxyethanol 111.89
    tert-butanol 50.28
    MTBE 140.92
    2-butoxyethanol 187.52
    propionic acid 89.75
    o-xylene 111.38
    formic acid 20.63
    diethyl ether 105.5
    m-xylene 100.83
    p-xylene 137.8
    chlorobenzene 237.26
    dimethyl carbonate 93.78
    n-octane 16.49
    formamide 37.68
    cyclopentanone 583.46
    2-pentanone 227.91
    anisole 166.6
    cyclopentyl methyl ether 326.08
    gamma-butyrolactone 592.1
    1-methoxy-2-propanol 103.6
    pyridine 257.74
    3-pentanone 214.66
    furfural 392.12
    n-dodecane 8.57
    diethylene glycol 33.86
    diisopropyl ether 71.37
    tert-amyl alcohol 92.11
    acetylacetone 364.84
    n-hexadecane 10.25
    acetophenone 252.35
    methyl propionate 201.16
    isopentyl acetate 265.76
    trichloroethylene 803.92
    n-nonanol 90.72
    cyclohexanol 117.73
    benzyl alcohol 91.79
    2-ethylhexanol 65.63
    isooctanol 87.81
    dipropyl ether 137.74
    1,2-dichlorobenzene 300.05
    ethyl lactate 112.76
    propylene carbonate 391.44
    n-methylformamide 73.36
    2-pentanol 48.71
    n-pentane 16.25
    1-propoxy-2-propanol 143.32
    1-methoxy-2-propyl acetate 285.69
    2-(2-methoxypropoxy) propanol 183.88
    mesitylene 77.8
    ε-caprolactone 598.9
    p-cymene 79.36
    epichlorohydrin 565.34
    1,1,1-trichloroethane 559.2
    2-aminoethanol 11.48
    morpholine-4-carbaldehyde 370.59
    sulfolane 824.12
    2,2,4-trimethylpentane 24.34
    2-methyltetrahydrofuran 402.88
    n-hexyl acetate 408.63
    isooctane 11.66
    2-(2-butoxyethoxy)ethanol 227.13
    sec-butyl acetate 256.87
    tert-butyl acetate 361.43
    decalin 39.25
    glycerin 16.23
    diglyme 543.23
    acrylic acid 64.55
    isopropyl myristate 125.06
    n-butyric acid 196.25
    acetyl acetate 207.16
    di(2-ethylhexyl) phthalate 108.82
    ethyl propionate 263.39
    nitromethane 226.5
    1,2-diethoxyethane 267.58
    benzonitrile 129.09
    trioctyl phosphate 79.67
    1-bromopropane 217.11
    gamma-valerolactone 738.8
    n-decanol 53.68
    triethyl phosphate 162.12
    4-methyl-2-pentanol 48.71
    propionitrile 63.43
    vinylene carbonate 304.68
    1,1,2-trichlorotrifluoroethane 341.69
    DMS 210.49
    cumene 72.23
    2-octanol 81.94
    2-hexanone 243.69
    octyl acetate 152.37
    limonene 122.22
    1,2-dimethoxyethane 245.78
    ethyl orthosilicate 159.7
    tributyl phosphate 108.08
    diacetone alcohol 248.0
    N,N-dimethylaniline 133.15
    acrylonitrile 64.81
    aniline 89.07
    1,3-propanediol 24.92
    bromobenzene 293.37
    dibromomethane 409.51
    1,1,2,2-tetrachloroethane 729.37
    2-methyl-cyclohexyl acetate 244.8
    tetrabutyl urea 153.61
    diisobutyl methanol 55.85
    2-phenylethanol 83.6
    styrene 98.01
    dioctyl adipate 200.09
    dimethyl sulfate 223.27
    ethyl butyrate 265.15
    methyl lactate 88.89
    butyl lactate 270.41
    diethyl carbonate 155.61
    propanediol butyl ether 139.87
    triethyl orthoformate 235.41
    p-tert-butyltoluene 75.56
    methyl 4-tert-butylbenzoate 342.53
    morpholine 228.63
    tert-butylamine 38.25
    n-dodecanol 34.98
    dimethoxymethane 151.93
    ethylene carbonate 278.13
    cyrene 209.75
    2-ethoxyethyl acetate 451.86
    2-ethylhexyl acetate 243.93
    1,2,4-trichlorobenzene 382.44
    4-methylpyridine 282.21
    dibutyl ether 186.44
    2,6-dimethyl-4-heptanol 55.85
    DEF 286.09
    dimethyl isosorbide 433.23
    tetrachloroethylene 425.53
    eugenol 216.96
    triacetin 450.03
    span 80 180.3
    1,4-butanediol 15.2
    1,1-dichloroethane 357.57
    2-methyl-1-pentanol 71.4
    methyl formate 69.07
    2-methyl-1-butanol 64.02
    n-decane 22.54
    butyronitrile 80.5
    3,7-dimethyl-1-octanol 91.86
    1-chlorooctane 109.51
    1-chlorotetradecane 30.7
    n-nonane 21.55
    undecane 12.86
    tert-butylcyclohexane 31.94
    cyclooctane 26.26
    cyclopentanol 108.49
    tetrahydropyran 295.64
    tert-amyl methyl ether 168.45
    2,5,8-trioxanonane 263.89
    1-hexene 66.52
    2-isopropoxyethanol 104.49
    2,2,2-trifluoroethanol 67.08
    methyl butyrate 341.64

    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