Methylpentanediol dineopentanoate

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  • Identifiers

    CAS number
    762268-77-9

    Molecular formula
    C16H30O4

    SMILES
    CC(CCOC(=O)C(C)(C)C)CCOC(=O)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 73.42%
    Floral 59.67%
    Herbal 50.21%
    Apple 38.28%
    Rose 36.03%
    Woody 33.26%
    Fresh 32.79%
    Sweet 31.76%
    Green 30.26%
    Tropical 27.1%

     

    Flavor
    Fruity 76.52%
    Green 65.01%
    Sweet 58.45%
    Tropical 46.7%
    Apple 43.12%
    Berry 34.18%
    Floral 34.12%
    Citrus 32.44%
    Bitter 32.33%
    Waxy 31.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.36 (neutral)

    Molecular weight
    286.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 132.15 ˚C est.

  • Synonyms

    • Neosolue MP
    • Neosolue-MPD
    • Methylpentanediol dineopentanoate
    • 762268-77-9
    • UNII-M74Z7847PB
    • M74Z7847PB
    • Dineopentanoic acid 3-methyl-1,5-pentanediol
    • Propanoic acid, 2,2-dimethyl-, 3-methyl-1,5-pentanediyl ester
    • Propanoic acid, 2,2-dimethyl-, 1,1'-(3-methyl-1,5-pentanediyl) ester
    • DTXSID00227078
    • RefChem:158285
    • DTXCID00149569
    • METHYLPENTANEDIOL DINEOPENTANOATE [INCI]
    • 3-METHYLPENTANE-1,5-DIYL BIS(2,2-DIMETHYLPROPANOATE)
    • SCHEMBL12076232
    • ABKPAQVSXGDAOP-UHFFFAOYSA-N
    • E89273
    • Q27283580
    • 762268-77-9

  • Applications

    Methylpentanediol dineopentanoate is primarily used as a high-boiling plasticizer for polymers and coatings, including PVC and polyurethanes, where it improves flexibility and processability. It also serves as a solvent and processing aid in industrial coatings, inks, and adhesive formulations, helping dissolve or disperse actives and adjust flow properties. In cosmetics and personal care, it functions as an emollient and solvent, delivering slip and a smooth texture in formulations such as creams and lotions. In perfumery, it can be used as a fragrance solvent and carrier and may act as a fixative in fragrance compositions, aiding fragrance release and formulation stability. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3467.13
    methanol 3196.44
    isopropanol 3816.61
    water 7.06
    ethyl acetate 5841.64
    n-propanol 3189.28
    acetone 6229.06
    n-butanol 3121.66
    acetonitrile 4612.51
    DMF 7111.54
    toluene 3275.47
    isobutanol 3155.24
    1,4-dioxane 5737.12
    methyl acetate 4743.57
    THF 7232.25
    2-butanone 5285.3
    n-pentanol 2253.15
    sec-butanol 3949.53
    n-hexane 1322.47
    ethylene glycol 255.52
    NMP 4862.72
    cyclohexane 2228.09
    DMSO 2982.74
    n-butyl acetate 3245.22
    n-octanol 1513.69
    chloroform 13610.46
    n-propyl acetate 3559.52
    acetic acid 4719.37
    dichloromethane 9392.63
    cyclohexanone 7458.73
    propylene glycol 598.41
    isopropyl acetate 4764.16
    DMAc 6526.55
    2-ethoxyethanol 3028.72
    isopentanol 2920.37
    n-heptane 513.58
    ethyl formate 3086.36
    1,2-dichloroethane 5993.71
    n-hexanol 1908.35
    2-methoxyethanol 4103.09
    isobutyl acetate 2398.66
    tetrachloromethane 3325.6
    n-pentyl acetate 2665.83
    transcutol 5187.3
    n-heptanol 1396.35
    ethylbenzene 2033.5
    MIBK 3454.45
    2-propoxyethanol 2702.97
    tert-butanol 4769.87
    MTBE 6639.88
    2-butoxyethanol 2450.96
    propionic acid 2753.67
    o-xylene 2226.45
    formic acid 1408.48
    diethyl ether 5340.98
    m-xylene 2214.8
    p-xylene 3196.47
    chlorobenzene 3058.73
    dimethyl carbonate 1647.03
    n-octane 281.82
    formamide 2521.69
    cyclopentanone 6013.65
    2-pentanone 5136.62
    anisole 2608.26
    cyclopentyl methyl ether 5358.66
    gamma-butyrolactone 6040.56
    1-methoxy-2-propanol 3706.43
    pyridine 4733.95
    3-pentanone 4021.4
    furfural 4192.26
    n-dodecane 126.39
    diethylene glycol 1152.04
    diisopropyl ether 2382.06
    tert-amyl alcohol 4845.07
    acetylacetone 4683.42
    n-hexadecane 152.16
    acetophenone 2742.55
    methyl propionate 3870.11
    isopentyl acetate 3070.31
    trichloroethylene 11981.4
    n-nonanol 1332.05
    cyclohexanol 4243.07
    benzyl alcohol 1780.94
    2-ethylhexanol 1361.34
    isooctanol 1222.85
    dipropyl ether 2233.33
    1,2-dichlorobenzene 2852.58
    ethyl lactate 1240.16
    propylene carbonate 3667.09
    n-methylformamide 3836.33
    2-pentanol 3277.84
    n-pentane 1065.8
    1-propoxy-2-propanol 2211.59
    1-methoxy-2-propyl acetate 2707.63
    2-(2-methoxypropoxy) propanol 1406.02
    mesitylene 1439.22
    ε-caprolactone 6096.83
    p-cymene 888.48
    epichlorohydrin 7049.7
    1,1,1-trichloroethane 9798.08
    2-aminoethanol 911.69
    morpholine-4-carbaldehyde 5060.86
    sulfolane 4744.66
    2,2,4-trimethylpentane 607.74
    2-methyltetrahydrofuran 7314.3
    n-hexyl acetate 3492.79
    isooctane 357.47
    2-(2-butoxyethoxy)ethanol 1975.86
    sec-butyl acetate 3016.79
    tert-butyl acetate 4665.19
    decalin 845.73
    glycerin 682.73
    diglyme 4392.91
    acrylic acid 2013.3
    isopropyl myristate 981.59
    n-butyric acid 4932.97
    acetyl acetate 3510.2
    di(2-ethylhexyl) phthalate 733.63
    ethyl propionate 3197.96
    nitromethane 8583.09
    1,2-diethoxyethane 2870.34
    benzonitrile 2329.14
    trioctyl phosphate 602.63
    1-bromopropane 4523.16
    gamma-valerolactone 7273.99
    n-decanol 785.27
    triethyl phosphate 973.12
    4-methyl-2-pentanol 1703.35
    propionitrile 3522.82
    vinylene carbonate 3263.37
    1,1,2-trichlorotrifluoroethane 4381.33
    DMS 2091.97
    cumene 1319.33
    2-octanol 1286.79
    2-hexanone 3324.55
    octyl acetate 1311.68
    limonene 1447.99
    1,2-dimethoxyethane 5304.57
    ethyl orthosilicate 1043.15
    tributyl phosphate 806.15
    diacetone alcohol 3311.97
    N,N-dimethylaniline 2083.68
    acrylonitrile 3416.08
    aniline 2254.68
    1,3-propanediol 1773.07
    bromobenzene 3350.89
    dibromomethane 7146.42
    1,1,2,2-tetrachloroethane 10561.04
    2-methyl-cyclohexyl acetate 1693.99
    tetrabutyl urea 886.27
    diisobutyl methanol 827.81
    2-phenylethanol 1483.87
    styrene 2087.77
    dioctyl adipate 1198.8
    dimethyl sulfate 2238.04
    ethyl butyrate 2359.61
    methyl lactate 1400.56
    butyl lactate 1647.94
    diethyl carbonate 1483.97
    propanediol butyl ether 1603.14
    triethyl orthoformate 1637.55
    p-tert-butyltoluene 911.6
    methyl 4-tert-butylbenzoate 2018.04
    morpholine 7034.5
    tert-butylamine 3376.9
    n-dodecanol 511.84
    dimethoxymethane 4413.48
    ethylene carbonate 3137.31
    cyrene 1292.98
    2-ethoxyethyl acetate 2507.0
    2-ethylhexyl acetate 2430.64
    1,2,4-trichlorobenzene 3238.89
    4-methylpyridine 5885.45
    dibutyl ether 2058.97
    2,6-dimethyl-4-heptanol 827.81
    DEF 5673.1
    dimethyl isosorbide 2409.5
    tetrachloroethylene 7275.31
    eugenol 1472.87
    triacetin 2318.13
    span 80 1361.92
    1,4-butanediol 753.5
    1,1-dichloroethane 8587.99
    2-methyl-1-pentanol 2199.02
    methyl formate 2786.01
    2-methyl-1-butanol 3140.58
    n-decane 331.03
    butyronitrile 4031.61
    3,7-dimethyl-1-octanol 1271.55
    1-chlorooctane 1341.6
    1-chlorotetradecane 349.99
    n-nonane 351.91
    undecane 190.31
    tert-butylcyclohexane 767.27
    cyclooctane 728.89
    cyclopentanol 3551.71
    tetrahydropyran 7566.32
    tert-amyl methyl ether 5054.19
    2,5,8-trioxanonane 2144.23
    1-hexene 2928.27
    2-isopropoxyethanol 2360.74
    2,2,2-trifluoroethanol 2028.89
    methyl butyrate 4305.23

    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