Diethylpentanediol Dineopentanoate

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  • Identifiers

    CAS number
    762268-78-0

    Molecular formula
    C19H36O4

    SMILES
    CCC(CC(CC)COC(=O)C(C)(C)C)COC(=O)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 54.65%
    Woody 40.89%
    Herbal 35.04%
    Oily 32.89%
    Floral 30.35%
    Fatty 28.71%
    Dry 25.98%
    Musk 24.55%
    Fresh 22.42%
    Mint 21.81%

     

    Flavor
    Green 61.2%
    Fruity 58.75%
    Sweet 41.81%
    Waxy 35.78%
    Tropical 35.6%
    Herbal 33.35%
    Apple 29.79%
    Berry 28.41%
    Floral 26.08%
    Oily 25.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    6.99 (neutral)

    Molecular weight
    328.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point

    • 138.68 ˚C est.

  • Synonyms

    • Neosolue-DEPD
    • Diethylpentanediol dineopentanoate
    • UNII-T98243MF1L
    • T98243MF1L
    • Dineopentanoic acid 2,4-diethyl-1,5-pentanediol
    • 762268-78-0
    • Propanoic acid, 2,2-dimethyl-, 2,4-diethyl-1,5-pentanediyl ester
    • Propanoic acid, 2,2-dimethyl-, 4-((2,2-dimethyl-1-oxopropoxy)methyl)-2-ethylhexyl ester
    • RefChem:133522
    • DIETHYLPENTANEDIOL DINEOPENTANOATE [INCI]
    • SCHEMBL12076262
    • DTXSID801371022
    • Q27289836
    • 2,4-Diethylpentane-1,5-diyl bis(2,2-dimethylpropanoate)
    • 762268-78-0

  • Applications

    Diethylpentanediol Dineopentanoate (CAS 762268-78-0) is primarily used as a plasticizer for polymers and resins, imparting flexibility to materials such as PVC and other plastics. It also serves as a high-boiling solvent and processing aid in coatings, inks, and adhesive formulations, improving flow, compatibility and formulation stability. The diester can function as an intermediate in organic synthesis and is sometimes used in specialty fragrance formulations as a carrier or fixative component. In cosmetics and personal-care applications it may act as an emollient and solvent, aiding ingredient solubility and texture. Additionally, it may be evaluated as a solvent or co-solvent in household cleaning products and other formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1131.72
    methanol 955.27
    isopropanol 1041.39
    water 1.79
    ethyl acetate 2046.24
    n-propanol 951.04
    acetone 1780.06
    n-butanol 940.87
    acetonitrile 1209.44
    DMF 1991.3
    toluene 1353.6
    isobutanol 929.82
    1,4-dioxane 2071.24
    methyl acetate 1523.12
    THF 2898.35
    2-butanone 1723.47
    n-pentanol 868.14
    sec-butanol 1139.34
    n-hexane 390.85
    ethylene glycol 66.55
    NMP 1956.37
    cyclohexane 577.42
    DMSO 1083.72
    n-butyl acetate 1540.2
    n-octanol 718.52
    chloroform 5235.65
    n-propyl acetate 1564.62
    acetic acid 1396.89
    dichloromethane 3856.14
    cyclohexanone 2811.61
    propylene glycol 174.17
    isopropyl acetate 1667.44
    DMAc 2170.91
    2-ethoxyethanol 1219.21
    isopentanol 974.35
    n-heptane 202.77
    ethyl formate 1035.58
    1,2-dichloroethane 2236.24
    n-hexanol 811.68
    2-methoxyethanol 1290.19
    isobutyl acetate 1135.56
    tetrachloromethane 1081.05
    n-pentyl acetate 1485.31
    transcutol 2618.31
    n-heptanol 749.46
    ethylbenzene 992.95
    MIBK 1275.9
    2-propoxyethanol 1152.34
    tert-butanol 1351.69
    MTBE 1887.6
    2-butoxyethanol 1205.98
    propionic acid 840.39
    o-xylene 935.94
    formic acid 391.69
    diethyl ether 1512.73
    m-xylene 940.06
    p-xylene 1495.54
    chlorobenzene 1515.8
    dimethyl carbonate 548.05
    n-octane 119.1
    formamide 645.44
    cyclopentanone 2326.87
    2-pentanone 1739.01
    anisole 1285.84
    cyclopentyl methyl ether 1842.83
    gamma-butyrolactone 2371.6
    1-methoxy-2-propanol 1205.71
    pyridine 1957.99
    3-pentanone 1296.63
    furfural 1757.76
    n-dodecane 59.57
    diethylene glycol 459.88
    diisopropyl ether 739.32
    tert-amyl alcohol 1456.95
    acetylacetone 1825.11
    n-hexadecane 69.45
    acetophenone 1348.27
    methyl propionate 1321.56
    isopentyl acetate 1576.42
    trichloroethylene 4480.71
    n-nonanol 648.98
    cyclohexanol 1260.75
    benzyl alcohol 938.27
    2-ethylhexanol 688.5
    isooctanol 663.9
    dipropyl ether 909.73
    1,2-dichlorobenzene 1425.91
    ethyl lactate 522.77
    propylene carbonate 1544.92
    n-methylformamide 1076.91
    2-pentanol 959.18
    n-pentane 271.97
    1-propoxy-2-propanol 999.47
    1-methoxy-2-propyl acetate 1240.58
    2-(2-methoxypropoxy) propanol 787.34
    mesitylene 610.07
    ε-caprolactone 2484.63
    p-cymene 509.7
    epichlorohydrin 2751.65
    1,1,1-trichloroethane 3415.29
    2-aminoethanol 272.32
    morpholine-4-carbaldehyde 2004.35
    sulfolane 2047.99
    2,2,4-trimethylpentane 201.42
    2-methyltetrahydrofuran 2615.97
    n-hexyl acetate 1671.85
    isooctane 123.55
    2-(2-butoxyethoxy)ethanol 1116.24
    sec-butyl acetate 1279.12
    tert-butyl acetate 1723.29
    decalin 318.76
    glycerin 208.14
    diglyme 2213.02
    acrylic acid 651.02
    isopropyl myristate 520.03
    n-butyric acid 1625.39
    acetyl acetate 1355.36
    di(2-ethylhexyl) phthalate 438.62
    ethyl propionate 1322.36
    nitromethane 2321.25
    1,2-diethoxyethane 1402.93
    benzonitrile 1137.98
    trioctyl phosphate 343.5
    1-bromopropane 1651.87
    gamma-valerolactone 3018.69
    n-decanol 396.97
    triethyl phosphate 490.03
    4-methyl-2-pentanol 599.3
    propionitrile 1079.33
    vinylene carbonate 1333.73
    1,1,2-trichlorotrifluoroethane 1558.27
    DMS 897.06
    cumene 663.81
    2-octanol 648.57
    2-hexanone 1482.52
    octyl acetate 677.26
    limonene 716.55
    1,2-dimethoxyethane 2101.22
    ethyl orthosilicate 523.02
    tributyl phosphate 417.48
    diacetone alcohol 1223.38
    N,N-dimethylaniline 972.42
    acrylonitrile 1104.82
    aniline 958.56
    1,3-propanediol 554.03
    bromobenzene 1762.18
    dibromomethane 2911.32
    1,1,2,2-tetrachloroethane 3774.88
    2-methyl-cyclohexyl acetate 948.36
    tetrabutyl urea 504.02
    diisobutyl methanol 420.53
    2-phenylethanol 825.45
    styrene 1017.25
    dioctyl adipate 661.2
    dimethyl sulfate 773.89
    ethyl butyrate 1151.31
    methyl lactate 483.82
    butyl lactate 876.68
    diethyl carbonate 713.19
    propanediol butyl ether 815.04
    triethyl orthoformate 815.63
    p-tert-butyltoluene 487.49
    methyl 4-tert-butylbenzoate 1044.62
    morpholine 2428.59
    tert-butylamine 939.86
    n-dodecanol 262.18
    dimethoxymethane 1437.93
    ethylene carbonate 1221.27
    cyrene 723.75
    2-ethoxyethyl acetate 1426.32
    2-ethylhexyl acetate 1297.4
    1,2,4-trichlorobenzene 1587.02
    4-methylpyridine 2287.91
    dibutyl ether 934.95
    2,6-dimethyl-4-heptanol 420.53
    DEF 1775.26
    dimethyl isosorbide 1360.33
    tetrachloroethylene 2472.96
    eugenol 832.53
    triacetin 1156.61
    span 80 775.43
    1,4-butanediol 305.06
    1,1-dichloroethane 3030.0
    2-methyl-1-pentanol 943.0
    methyl formate 795.22
    2-methyl-1-butanol 993.57
    n-decane 142.46
    butyronitrile 1305.17
    3,7-dimethyl-1-octanol 652.06
    1-chlorooctane 595.08
    1-chlorotetradecane 171.72
    n-nonane 148.27
    undecane 84.7
    tert-butylcyclohexane 286.21
    cyclooctane 205.99
    cyclopentanol 1079.16
    tetrahydropyran 2492.63
    tert-amyl methyl ether 1517.03
    2,5,8-trioxanonane 1175.05
    1-hexene 988.8
    2-isopropoxyethanol 1012.85
    2,2,2-trifluoroethanol 570.24
    methyl butyrate 1815.58

    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