Neopentyl acetate

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  • Identifiers

    CAS number
    926-41-0

    Molecular formula
    C7H14O2

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

  • Odor profile

    Fragrance
    Fruity 90.12%
    Ethereal 53.63%
    Sweet 49.8%
    Fresh 48.12%
    Banana 43.52%
    Apple 43.43%
    Pear 34.11%
    Rummy 31.76%
    Herbal 30.95%
    Sharp 29.83%

     

    Flavor
    Sweet 70.61%
    Fruity 65.21%
    Bitter 56.63%
    Banana 49.76%
    Ethereal 39.36%
    Green 38.09%
    Apple 37.45%
    Solvent 36.32%
    Fruit 34.99%
    Ether 34.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.5 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    128°C

    Flash point

    • 36.51 ˚C est.

  • Synonyms

    • Neopentyl acetate
    • 2,2-Dimethylpropyl acetate
    • 926-41-0
    • 2,2-DIMETHYL-1-PROPANOL ACETATE
    • 1-Propanol, 2,2-dimethyl-, acetate
    • 2,2-Dimethylpropyl ethanoate
    • 297LQ7L2WJ
    • NSC-945
    • Neoamyl acetate
    • Neopentyl alcohol, acetate
    • UNII-297LQ7L2WJ
    • SCHEMBL697625
    • NSC945
    • DTXSID40239059
    • NSC 945
    • 1-Propanol,2-dimethyl-, acetate
    • STL280313
    • AKOS006281618
    • 1-Propanol, 2,2-dimethyl-, 1-acetate
    • Q63398984

  • Applications

    Neopentyl acetate (CAS 926-41-0) is used as a fragrance ingredient in perfumery and as a solvent in flavor formulations, reflecting its fruity aroma and moderate evaporation rate. It also serves as a processing solvent in coatings, printing inks, and adhesives in industrial manufacturing. As an ester of acetic acid and neopentyl alcohol, it is commonly used as a chemical intermediate for the synthesis of other esters and specialty chemicals. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.04
    methanol 169.72
    isopropanol 139.93
    water 8.3
    ethyl acetate 99.09
    n-propanol 116.35
    acetone 133.56
    n-butanol 111.27
    acetonitrile 81.48
    DMF 256.46
    toluene 68.25
    isobutanol 111.4
    1,4-dioxane 142.09
    methyl acetate 132.87
    THF 202.33
    2-butanone 148.85
    n-pentanol 81.58
    sec-butanol 150.9
    n-hexane 55.94
    ethylene glycol 80.05
    NMP 268.75
    cyclohexane 38.09
    DMSO 128.62
    n-butyl acetate 130.05
    n-octanol 148.71
    chloroform 356.17
    n-propyl acetate 73.43
    acetic acid 117.64
    dichloromethane 198.86
    cyclohexanone 170.73
    propylene glycol 138.68
    isopropyl acetate 88.45
    DMAc 325.83
    2-ethoxyethanol 104.38
    isopentanol 117.58
    n-heptane 47.57
    ethyl formate 75.56
    1,2-dichloroethane 115.6
    n-hexanol 189.57
    2-methoxyethanol 182.47
    isobutyl acetate 72.92
    tetrachloromethane 88.43
    n-pentyl acetate 94.33
    transcutol 281.38
    n-heptanol 110.55
    ethylbenzene 74.9
    MIBK 99.85
    2-propoxyethanol 222.29
    tert-butanol 238.08
    MTBE 181.01
    2-butoxyethanol 149.35
    propionic acid 133.51
    o-xylene 87.72
    formic acid 62.17
    diethyl ether 85.66
    m-xylene 81.45
    p-xylene 103.33
    chlorobenzene 89.78
    dimethyl carbonate 60.95
    n-octane 26.34
    formamide 47.75
    cyclopentanone 194.61
    2-pentanone 104.04
    anisole 130.83
    cyclopentyl methyl ether 132.48
    gamma-butyrolactone 184.0
    1-methoxy-2-propanol 195.31
    pyridine 103.71
    3-pentanone 100.78
    furfural 197.74
    n-dodecane 25.59
    diethylene glycol 175.76
    diisopropyl ether 59.12
    tert-amyl alcohol 230.93
    acetylacetone 133.38
    n-hexadecane 27.04
    acetophenone 129.59
    methyl propionate 105.09
    isopentyl acetate 143.93
    trichloroethylene 262.08
    n-nonanol 125.94
    cyclohexanol 132.92
    benzyl alcohol 100.11
    2-ethylhexanol 134.33
    isooctanol 95.47
    dipropyl ether 101.12
    1,2-dichlorobenzene 117.36
    ethyl lactate 96.81
    propylene carbonate 152.18
    n-methylformamide 101.31
    2-pentanol 108.48
    n-pentane 38.23
    1-propoxy-2-propanol 211.28
    1-methoxy-2-propyl acetate 158.43
    2-(2-methoxypropoxy) propanol 214.23
    mesitylene 68.02
    ε-caprolactone 167.51
    p-cymene 88.14
    epichlorohydrin 164.52
    1,1,1-trichloroethane 209.86
    2-aminoethanol 111.87
    morpholine-4-carbaldehyde 251.07
    sulfolane 241.08
    2,2,4-trimethylpentane 38.64
    2-methyltetrahydrofuran 172.9
    n-hexyl acetate 176.71
    isooctane 28.88
    2-(2-butoxyethoxy)ethanol 195.01
    sec-butyl acetate 75.97
    tert-butyl acetate 136.88
    decalin 40.15
    glycerin 178.89
    diglyme 278.79
    acrylic acid 126.75
    isopropyl myristate 89.25
    n-butyric acid 136.83
    acetyl acetate 82.92
    di(2-ethylhexyl) phthalate 110.05
    ethyl propionate 83.46
    nitromethane 142.28
    1,2-diethoxyethane 103.64
    benzonitrile 107.15
    trioctyl phosphate 79.76
    1-bromopropane 103.68
    gamma-valerolactone 233.66
    n-decanol 99.76
    triethyl phosphate 87.38
    4-methyl-2-pentanol 93.5
    propionitrile 97.48
    vinylene carbonate 137.03
    1,1,2-trichlorotrifluoroethane 244.73
    DMS 131.73
    cumene 79.27
    2-octanol 98.4
    2-hexanone 99.79
    octyl acetate 110.49
    limonene 113.73
    1,2-dimethoxyethane 183.47
    ethyl orthosilicate 85.56
    tributyl phosphate 87.88
    diacetone alcohol 180.71
    N,N-dimethylaniline 143.96
    acrylonitrile 108.67
    aniline 86.31
    1,3-propanediol 115.75
    bromobenzene 93.09
    dibromomethane 152.88
    1,1,2,2-tetrachloroethane 299.61
    2-methyl-cyclohexyl acetate 137.38
    tetrabutyl urea 119.58
    diisobutyl methanol 95.82
    2-phenylethanol 139.01
    styrene 72.12
    dioctyl adipate 125.37
    dimethyl sulfate 116.11
    ethyl butyrate 100.29
    methyl lactate 121.86
    butyl lactate 123.07
    diethyl carbonate 81.4
    propanediol butyl ether 212.12
    triethyl orthoformate 94.74
    p-tert-butyltoluene 99.19
    methyl 4-tert-butylbenzoate 193.19
    morpholine 166.17
    tert-butylamine 172.67
    n-dodecanol 83.37
    dimethoxymethane 125.97
    ethylene carbonate 101.98
    cyrene 198.07
    2-ethoxyethyl acetate 101.91
    2-ethylhexyl acetate 120.3
    1,2,4-trichlorobenzene 163.97
    4-methylpyridine 135.26
    dibutyl ether 102.02
    2,6-dimethyl-4-heptanol 95.82
    DEF 139.53
    dimethyl isosorbide 283.84
    tetrachloroethylene 171.46
    eugenol 189.44
    triacetin 175.14
    span 80 213.81
    1,4-butanediol 68.0
    1,1-dichloroethane 173.09
    2-methyl-1-pentanol 95.85
    methyl formate 84.36
    2-methyl-1-butanol 118.69
    n-decane 37.51
    butyronitrile 92.09
    3,7-dimethyl-1-octanol 152.91
    1-chlorooctane 99.8
    1-chlorotetradecane 51.93
    n-nonane 38.22
    undecane 30.02
    tert-butylcyclohexane 49.5
    cyclooctane 22.59
    cyclopentanol 140.78
    tetrahydropyran 128.0
    tert-amyl methyl ether 168.09
    2,5,8-trioxanonane 228.84
    1-hexene 85.96
    2-isopropoxyethanol 101.85
    2,2,2-trifluoroethanol 76.79
    methyl butyrate 102.19

    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