Neopentyl Glycol Diethylhexanoate

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  • Identifiers

    CAS number
    28510-23-8

    Molecular formula
    C21H40O4

    SMILES
    CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 65.81%
    Herbal 53.7%
    Woody 43.6%
    Oily 40.97%
    Fatty 36.19%
    Floral 25.82%
    Dry 25.16%
    Apple 25.03%
    Waxy 24.31%
    Mint 23.72%

     

    Flavor
    Fruity 65.8%
    Green 55.46%
    Waxy 45.94%
    Apple 36.11%
    Sweet 35.25%
    Oily 32.52%
    Tropical 31.86%
    Berry 30.87%
    Herbal 29.39%
    Wine 27.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    6.7 (neutral)

    Molecular weight
    356.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 165.42 ˚C est.

  • Synonyms

    • 28510-23-8
    • neopentyl glycol diethylhexanoate
    • NEOPENTYL GLYCOL DIOCTANOATE
    • Neopentyl glycol di(2-ethylhexoate)
    • UNII-U68ZV6W62C
    • Neopentyl glycol di(2-ethylhexanoate)
    • Neopentyl glycol bis(2-ethylhexanoate)
    • U68ZV6W62C
    • SCHERCEMOL NGDO
    • KAK-NDO
    • EINECS 249-060-1
    • COSMOL 525
    • Hexanoic acid, 2-ethyl-, 2,2-dimethyl-1,3-propanediyl ester
    • DTXSID20865431
    • EC 249-060-1
    • neopentylglycol di-2-ethylhexanoate
    • Hexanoic acid, 2-ethyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
    • Octanoic acid, 2,2-dimethyl-1,3-propanediol diester
    • 1,3-PROPANEDIOL, 2,2-DIMETHYL-, BIS(2-ETHYLHEXANOATE)
    • HEXANOIC ACID, 2-ETHYL-, 2,2-DIMETHYLTRIMETHYLENE ESTER
    • RefChem:165333
    • DTXCID10813840
    • NEOPENTYL GLYCOL DIETHYLHEXANOATE [INCI]
    • 249-060-1
    • 2,2-Dimethylpropane-1,3-diyl 2-ethylhexanoate
    • [3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] 2-ethylhexanoate
    • 2,2-Dimethylpropane-1,3-diyl Bis(2-ethylhexanoate)
    • SCHEMBL296220
    • GORMSINSWZJIKL-UHFFFAOYSA-N
    • MFCD35203766
    • SY431275
    • NS00002423
    • Q27290744
    • NEOPENTYL GLYCOL, DIESTER WITH 2-ETHYLHEXANOIC ACID
    • 28510-23-8

  • Applications

    Neopentyl glycol diethylhexanoate (CAS 28510-23-8) is commonly used as a plasticizer for plastics and resin systems, including PVC, polyurethanes, and alkyd resins, to improve flexibility and film properties. It also serves as a coalescent and processing solvent in coatings, inks, and adhesives, aiding film formation and resin compatibility. In cosmetics and personal care, it can function as a solvent and emollient in formulations. Additionally, it is used as a processing solvent or diluent in industrial manufacturing and resin formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1660.0
    methanol 1225.66
    isopropanol 1923.23
    water 1.45
    ethyl acetate 4061.65
    n-propanol 1880.94
    acetone 3693.95
    n-butanol 2015.45
    acetonitrile 1722.32
    DMF 2847.13
    toluene 2441.03
    isobutanol 1978.22
    1,4-dioxane 3691.58
    methyl acetate 2691.47
    THF 4908.52
    2-butanone 3785.66
    n-pentanol 1663.43
    sec-butanol 2486.4
    n-hexane 592.08
    ethylene glycol 83.09
    NMP 3698.97
    cyclohexane 1467.95
    DMSO 1711.79
    n-butyl acetate 2953.49
    n-octanol 1196.39
    chloroform 7493.18
    n-propyl acetate 3016.25
    acetic acid 1959.33
    dichloromethane 6544.01
    cyclohexanone 7170.94
    propylene glycol 246.78
    isopropyl acetate 3245.21
    DMAc 3723.6
    2-ethoxyethanol 1754.53
    isopentanol 2304.29
    n-heptane 266.6
    ethyl formate 1818.53
    1,2-dichloroethane 4694.88
    n-hexanol 1362.09
    2-methoxyethanol 1899.62
    isobutyl acetate 2055.82
    tetrachloromethane 1626.83
    n-pentyl acetate 3253.62
    transcutol 4390.9
    n-heptanol 1176.78
    ethylbenzene 1399.33
    MIBK 2609.59
    2-propoxyethanol 1646.38
    tert-butanol 2458.29
    MTBE 3577.52
    2-butoxyethanol 1894.43
    propionic acid 1607.16
    o-xylene 1647.06
    formic acid 390.21
    diethyl ether 2892.42
    m-xylene 1491.07
    p-xylene 2294.69
    chlorobenzene 2959.2
    dimethyl carbonate 826.5
    n-octane 186.56
    formamide 707.82
    cyclopentanone 4945.62
    2-pentanone 3733.17
    anisole 1760.19
    cyclopentyl methyl ether 3388.99
    gamma-butyrolactone 4511.34
    1-methoxy-2-propanol 1861.74
    pyridine 3811.84
    3-pentanone 2713.84
    furfural 2946.57
    n-dodecane 99.23
    diethylene glycol 625.99
    diisopropyl ether 1250.24
    tert-amyl alcohol 2944.59
    acetylacetone 3479.49
    n-hexadecane 120.21
    acetophenone 2075.66
    methyl propionate 2410.52
    isopentyl acetate 2976.45
    trichloroethylene 7978.71
    n-nonanol 1023.13
    cyclohexanol 3296.11
    benzyl alcohol 1416.77
    2-ethylhexanol 1146.77
    isooctanol 1112.16
    dipropyl ether 1323.19
    1,2-dichlorobenzene 2611.27
    ethyl lactate 806.18
    propylene carbonate 2889.05
    n-methylformamide 1441.32
    2-pentanol 2098.51
    n-pentane 469.83
    1-propoxy-2-propanol 1486.82
    1-methoxy-2-propyl acetate 1956.2
    2-(2-methoxypropoxy) propanol 1109.97
    mesitylene 965.07
    ε-caprolactone 5680.78
    p-cymene 716.59
    epichlorohydrin 5025.33
    1,1,1-trichloroethane 5906.16
    2-aminoethanol 370.36
    morpholine-4-carbaldehyde 3080.18
    sulfolane 3842.57
    2,2,4-trimethylpentane 356.02
    2-methyltetrahydrofuran 4892.11
    n-hexyl acetate 3318.71
    isooctane 204.52
    2-(2-butoxyethoxy)ethanol 1649.72
    sec-butyl acetate 2396.19
    tert-butyl acetate 3010.86
    decalin 532.43
    glycerin 278.87
    diglyme 3440.66
    acrylic acid 1033.7
    isopropyl myristate 935.45
    n-butyric acid 3485.26
    acetyl acetate 2262.31
    di(2-ethylhexyl) phthalate 745.27
    ethyl propionate 2435.83
    nitromethane 3085.85
    1,2-diethoxyethane 2475.21
    benzonitrile 2050.67
    trioctyl phosphate 600.84
    1-bromopropane 3521.88
    gamma-valerolactone 5945.72
    n-decanol 618.88
    triethyl phosphate 766.89
    4-methyl-2-pentanol 1236.44
    propionitrile 1818.24
    vinylene carbonate 2349.82
    1,1,2-trichlorotrifluoroethane 2459.39
    DMS 1495.78
    cumene 890.12
    2-octanol 1160.64
    2-hexanone 2767.16
    octyl acetate 1229.81
    limonene 1231.8
    1,2-dimethoxyethane 3299.17
    ethyl orthosilicate 792.56
    tributyl phosphate 731.92
    diacetone alcohol 2211.36
    N,N-dimethylaniline 1224.12
    acrylonitrile 1648.96
    aniline 1769.54
    1,3-propanediol 924.01
    bromobenzene 3360.92
    dibromomethane 4863.03
    1,1,2,2-tetrachloroethane 6924.37
    2-methyl-cyclohexyl acetate 1531.34
    tetrabutyl urea 903.1
    diisobutyl methanol 699.17
    2-phenylethanol 1238.33
    styrene 1625.75
    dioctyl adipate 1182.15
    dimethyl sulfate 1138.78
    ethyl butyrate 2061.93
    methyl lactate 758.39
    butyl lactate 1559.54
    diethyl carbonate 1178.92
    propanediol butyl ether 1312.04
    triethyl orthoformate 1264.49
    p-tert-butyltoluene 626.46
    methyl 4-tert-butylbenzoate 1717.55
    morpholine 4269.72
    tert-butylamine 1719.38
    n-dodecanol 416.25
    dimethoxymethane 2105.68
    ethylene carbonate 2486.36
    cyrene 1105.25
    2-ethoxyethyl acetate 2750.06
    2-ethylhexyl acetate 2397.46
    1,2,4-trichlorobenzene 2843.85
    4-methylpyridine 4456.06
    dibutyl ether 1681.92
    2,6-dimethyl-4-heptanol 699.17
    DEF 3389.68
    dimethyl isosorbide 1857.8
    tetrachloroethylene 4469.38
    eugenol 1308.14
    triacetin 1960.22
    span 80 1201.15
    1,4-butanediol 470.88
    1,1-dichloroethane 5515.24
    2-methyl-1-pentanol 1906.9
    methyl formate 1017.35
    2-methyl-1-butanol 2227.89
    n-decane 232.82
    butyronitrile 2518.09
    3,7-dimethyl-1-octanol 1112.71
    1-chlorooctane 1109.63
    1-chlorotetradecane 314.18
    n-nonane 246.33
    undecane 140.31
    tert-butylcyclohexane 410.49
    cyclooctane 374.87
    cyclopentanol 2591.46
    tetrahydropyran 5473.92
    tert-amyl methyl ether 2723.69
    2,5,8-trioxanonane 1715.84
    1-hexene 1648.75
    2-isopropoxyethanol 1529.75
    2,2,2-trifluoroethanol 717.69
    methyl butyrate 3508.44

    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