n-Butyl pivalate

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  • Identifiers

    CAS number
    5129-37-3

    Molecular formula
    C9H18O2

    SMILES
    CCCCOC(=O)C(C)(C)C

  • Odor profile

    Fruity 95.69%
    Apple 62.33%
    Herbal 54.19%
    Sweet 43.74%
    Ethereal 43.7%
    Green 41.24%
    Banana 39.61%
    Tropical 38.69%
    Fresh 36.39%
    Floral 35.44%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    162°C

    Flash point est.
    50.87 ˚C

  • Synonyms

    • n-Butyl pivalate
    • 5129-37-3
    • Propanoic acid, 2,2-dimethyl-, butyl ester
    • butyl 2,2-dimethylpropanoate
    • Butyl pivalate
    • 2,2-Dimethylpropionic acid, buthyl ester
    • DTXSID40199285
    • butyl-2,2-dimethylpropanoate
    • SCHEMBL126843
    • DTXCID70121776
    • AKOS006239759
    • G77138

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5690.25
    methanol 5709.62
    isopropanol 6016.24
    water 12.89
    ethyl acetate 4055.2
    n-propanol 5202.11
    acetone 4486.62
    n-butanol 5255.81
    acetonitrile 4463.82
    DMF 4082.34
    toluene 2584.77
    isobutanol 4899.59
    1,4-dioxane 5231.96
    methyl acetate 3197.71
    THF 5052.6
    2-butanone 3975.28
    n-pentanol 3905.13
    sec-butanol 6429.25
    n-hexane 2911.25
    ethylene glycol 717.54
    NMP 3214.5
    cyclohexane 3313.43
    DMSO 2073.48
    n-butyl acetate 4638.24
    n-octanol 3173.24
    chloroform 12452.1
    n-propyl acetate 3011.63
    acetic acid 5249.52
    dichloromethane 7453.05
    cyclohexanone 6124.05
    propylene glycol 1246.0
    isopropyl acetate 3116.45
    DMAc 3615.85
    2-ethoxyethanol 3182.36
    isopentanol 4975.49
    n-heptane 1493.21
    ethyl formate 2971.56
    1,2-dichloroethane 4308.99
    n-hexanol 4944.14
    2-methoxyethanol 4423.12
    isobutyl acetate 2212.58
    tetrachloromethane 3366.95
    n-pentyl acetate 2878.78
    transcutol 6281.1
    n-heptanol 2913.21
    ethylbenzene 2245.76
    MIBK 2572.69
    2-propoxyethanol 3933.4
    tert-butanol 7122.99
    MTBE 6453.44
    2-butoxyethanol 3031.3
    propionic acid 3392.98
    o-xylene 1921.82
    formic acid 1566.31
    diethyl ether 4610.33
    m-xylene 1856.35
    p-xylene 3406.02
    chlorobenzene 2967.44
    dimethyl carbonate 950.46
    n-octane 693.76
    formamide 1806.77
    cyclopentanone 4264.63
    2-pentanone 3707.68
    anisole 2591.97
    cyclopentyl methyl ether 3611.84
    gamma-butyrolactone 4196.14
    1-methoxy-2-propanol 3354.18
    pyridine 4354.61
    3-pentanone 2570.38
    furfural 3752.84
    n-dodecane 408.04
    diethylene glycol 1959.88
    diisopropyl ether 2102.41
    tert-amyl alcohol 7237.32
    acetylacetone 2867.94
    n-hexadecane 454.39
    acetophenone 2408.9
    methyl propionate 2372.25
    isopentyl acetate 4415.21
    trichloroethylene 8777.86
    n-nonanol 2482.59
    cyclohexanol 5642.99
    benzyl alcohol 2200.61
    2-ethylhexanol 3389.98
    isooctanol 2380.67
    dipropyl ether 2879.08
    1,2-dichlorobenzene 2607.54
    ethyl lactate 1171.29
    propylene carbonate 3193.29
    n-methylformamide 2599.71
    2-pentanol 4800.5
    n-pentane 1936.88
    1-propoxy-2-propanol 3331.11
    1-methoxy-2-propyl acetate 2439.23
    2-(2-methoxypropoxy) propanol 1836.66
    mesitylene 1372.97
    ε-caprolactone 5122.34
    p-cymene 1500.23
    epichlorohydrin 4741.68
    1,1,1-trichloroethane 7322.77
    2-aminoethanol 1897.66
    morpholine-4-carbaldehyde 3749.39
    sulfolane 3365.96
    2,2,4-trimethylpentane 1006.61
    2-methyltetrahydrofuran 5627.87
    n-hexyl acetate 4320.7
    isooctane 780.19
    2-(2-butoxyethoxy)ethanol 2736.57
    sec-butyl acetate 2411.7
    tert-butyl acetate 3108.3
    decalin 1342.5
    glycerin 1313.23
    diglyme 4513.63
    acrylic acid 2554.21
    isopropyl myristate 1369.44
    n-butyric acid 5806.85
    acetyl acetate 2297.92
    di(2-ethylhexyl) phthalate 992.75
    ethyl propionate 2371.9
    nitromethane 5204.68
    1,2-diethoxyethane 3055.11
    benzonitrile 3312.19
    trioctyl phosphate 882.19
    1-bromopropane 4148.24
    gamma-valerolactone 5347.25
    n-decanol 1611.72
    triethyl phosphate 1021.02
    4-methyl-2-pentanol 2557.67
    propionitrile 4032.33
    vinylene carbonate 2987.78
    1,1,2-trichlorotrifluoroethane 3932.37
    DMS 1612.18
    cumene 1650.0
    2-octanol 2585.67
    2-hexanone 3330.67
    octyl acetate 1816.71
    limonene 2306.66
    1,2-dimethoxyethane 5201.27
    ethyl orthosilicate 1131.11
    tributyl phosphate 1106.72
    diacetone alcohol 2761.44
    N,N-dimethylaniline 1991.19
    acrylonitrile 3656.3
    aniline 2412.29
    1,3-propanediol 3005.49
    bromobenzene 3178.68
    dibromomethane 6125.95
    1,1,2,2-tetrachloroethane 8202.5
    2-methyl-cyclohexyl acetate 2127.74
    tetrabutyl urea 1246.55
    diisobutyl methanol 1729.99
    2-phenylethanol 2256.37
    styrene 2366.12
    dioctyl adipate 1523.54
    dimethyl sulfate 1115.41
    ethyl butyrate 2722.31
    methyl lactate 1143.86
    butyl lactate 2004.67
    diethyl carbonate 1755.15
    propanediol butyl ether 2614.98
    triethyl orthoformate 1850.36
    p-tert-butyltoluene 1424.33
    methyl 4-tert-butylbenzoate 1939.63
    morpholine 6137.88
    tert-butylamine 5840.84
    n-dodecanol 1166.0
    dimethoxymethane 2353.68
    ethylene carbonate 2765.42
    cyrene 1301.91
    2-ethoxyethyl acetate 2289.7
    2-ethylhexyl acetate 3545.1
    1,2,4-trichlorobenzene 2854.86
    4-methylpyridine 5322.36
    dibutyl ether 3063.3
    2,6-dimethyl-4-heptanol 1729.99
    DEF 3872.59
    dimethyl isosorbide 2419.06
    tetrachloroethylene 6135.75
    eugenol 1730.54
    triacetin 2152.99
    span 80 2018.11
    1,4-butanediol 1431.57
    1,1-dichloroethane 6742.96
    2-methyl-1-pentanol 3859.66
    methyl formate 1949.86
    2-methyl-1-butanol 4880.44
    n-decane 800.56
    butyronitrile 5348.09
    3,7-dimethyl-1-octanol 2751.64
    1-chlorooctane 2188.23
    1-chlorotetradecane 771.53
    n-nonane 909.12
    undecane 528.79
    tert-butylcyclohexane 1320.14
    cyclooctane 1089.07
    cyclopentanol 4244.12
    tetrahydropyran 7071.88
    tert-amyl methyl ether 4696.85
    2,5,8-trioxanonane 2436.26
    1-hexene 5027.06
    2-isopropoxyethanol 2502.39
    2,2,2-trifluoroethanol 1553.93
    methyl butyrate 3665.01

    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