Ethyl pivalate

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  • Identifiers

    CAS number
    3938-95-2

    Molecular formula
    C7H14O2

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 94.75%
    Ethereal 57.37%
    Apple 53.64%
    Fresh 44.58%
    Sweet 38.99%
    Tropical 38.87%
    Rummy 35.61%
    Banana 35.36%
    Herbal 32.1%
    Pineapple 31.67%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.23 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    118°C

    Flash point est.
    23.22 ˚C

  • Synonyms

    • Ethyl trimethylacetate
    • Ethyl pivalate
    • 3938-95-2
    • ETHYL 2,2-DIMETHYLPROPANOATE
    • Propanoic acid, 2,2-dimethyl-, ethyl ester
    • Ethylpivalate
    • Ethyl 2,2-dimethylpropionate
    • Pivalic acid, ethyl ester
    • ETHYLTRIMETHYLACETATE
    • 2,2-Dimethylpropanoic acid ethyl ester
    • Trimethylacetic acid, ethyl ester
    • UNII-738S62LZWY
    • NSC 17494
    • 738S62LZWY
    • PIVALIC ACID ETHYL ESTER
    • DTXSID4049294
    • EINECS 223-520-1
    • NSC-17494
    • 2,2-Dimethyl-propionic acid ethyl ester
    • DTXCID3029150
    • PIVALIC ACID ETHYL ESTER [MI]
    • 2,2-Dimethylpropionic acid, ethyl ester
    • ethyl pivaloate
    • Ethyl neopentanoate
    • MFCD00009129
    • Ethyl trimethylacetate, 99%
    • CHEMBL31767
    • SCHEMBL126096
    • Pivalic acid, ethyl ester (8CI)
    • DAA93895
    • NSC17494
    • Tox21_202831
    • AKOS009159503
    • NCGC00260377-01
    • Propanoic acid,2-dimethyl-, ethyl ester
    • CAS-3938-95-2
    • DB-049407
    • CS-0128841
    • NS00030572
    • E75826
    • Q27266156
    • 2,2-DIMETHYL-PROPANOIC ACID ETHYL ESTER (PIVALIC ACID ETHYL ESTER)
    • 2,2-DIMETHYL-PROPANOIC ACID ETHYL ESTER (PIVALIC ACID ETHYL ESTER)
    • 223-520-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1367.19
    methanol 1836.22
    isopropanol 1528.89
    water 23.15
    ethyl acetate 1705.03
    n-propanol 1392.26
    acetone 2102.13
    n-butanol 1459.76
    acetonitrile 1873.31
    DMF 2361.91
    toluene 1152.72
    isobutanol 1390.94
    1,4-dioxane 2069.35
    methyl acetate 1618.95
    THF 2105.68
    2-butanone 1840.09
    n-pentanol 1111.83
    sec-butanol 1791.45
    n-hexane 973.57
    ethylene glycol 410.8
    NMP 2158.27
    cyclohexane 1074.03
    DMSO 1173.58
    n-butyl acetate 1544.72
    n-octanol 1292.19
    chloroform 5710.76
    n-propyl acetate 1238.18
    acetic acid 1486.11
    dichloromethane 3812.73
    cyclohexanone 2660.17
    propylene glycol 632.74
    isopropyl acetate 1270.23
    DMAc 2186.37
    2-ethoxyethanol 1189.66
    isopentanol 1436.45
    n-heptane 554.09
    ethyl formate 1213.23
    1,2-dichloroethane 2183.59
    n-hexanol 1473.99
    2-methoxyethanol 1674.29
    isobutyl acetate 927.46
    tetrachloromethane 1764.45
    n-pentyl acetate 1182.0
    transcutol 2182.1
    n-heptanol 1008.43
    ethylbenzene 985.68
    MIBK 1216.36
    2-propoxyethanol 1559.34
    tert-butanol 2231.94
    MTBE 2174.19
    2-butoxyethanol 1110.62
    propionic acid 1416.44
    o-xylene 1049.58
    formic acid 604.06
    diethyl ether 1643.46
    m-xylene 1025.74
    p-xylene 1467.43
    chlorobenzene 1422.03
    dimethyl carbonate 681.51
    n-octane 328.78
    formamide 626.22
    cyclopentanone 2321.27
    2-pentanone 1657.94
    anisole 1293.31
    cyclopentyl methyl ether 1666.23
    gamma-butyrolactone 2291.2
    1-methoxy-2-propanol 1471.22
    pyridine 1524.01
    3-pentanone 1438.44
    furfural 2038.58
    n-dodecane 232.85
    diethylene glycol 916.83
    diisopropyl ether 893.26
    tert-amyl alcohol 2307.45
    acetylacetone 1670.85
    n-hexadecane 258.02
    acetophenone 1313.55
    methyl propionate 1309.09
    isopentyl acetate 1498.01
    trichloroethylene 4375.01
    n-nonanol 1002.58
    cyclohexanol 1919.84
    benzyl alcohol 979.81
    2-ethylhexanol 1137.81
    isooctanol 854.76
    dipropyl ether 1124.78
    1,2-dichlorobenzene 1551.83
    ethyl lactate 679.01
    propylene carbonate 1707.58
    n-methylformamide 1201.86
    2-pentanol 1394.02
    n-pentane 706.96
    1-propoxy-2-propanol 1357.58
    1-methoxy-2-propyl acetate 1166.51
    2-(2-methoxypropoxy) propanol 942.67
    mesitylene 838.05
    ε-caprolactone 2137.74
    p-cymene 770.69
    epichlorohydrin 2186.42
    1,1,1-trichloroethane 3792.04
    2-aminoethanol 717.36
    morpholine-4-carbaldehyde 2016.65
    sulfolane 2352.78
    2,2,4-trimethylpentane 478.84
    2-methyltetrahydrofuran 2230.4
    n-hexyl acetate 1824.84
    isooctane 369.3
    2-(2-butoxyethoxy)ethanol 1109.17
    sec-butyl acetate 1000.05
    tert-butyl acetate 1519.68
    decalin 579.23
    glycerin 748.55
    diglyme 2040.8
    acrylic acid 1214.37
    isopropyl myristate 714.38
    n-butyric acid 1835.83
    acetyl acetate 1199.54
    di(2-ethylhexyl) phthalate 576.03
    ethyl propionate 1205.18
    nitromethane 2303.91
    1,2-diethoxyethane 1162.83
    benzonitrile 1420.99
    trioctyl phosphate 525.84
    1-bromopropane 1789.64
    gamma-valerolactone 2586.72
    n-decanol 709.14
    triethyl phosphate 647.07
    4-methyl-2-pentanol 895.7
    propionitrile 1584.06
    vinylene carbonate 1659.72
    1,1,2-trichlorotrifluoroethane 2096.52
    DMS 1073.87
    cumene 818.48
    2-octanol 979.19
    2-hexanone 1334.73
    octyl acetate 882.43
    limonene 1077.16
    1,2-dimethoxyethane 2080.05
    ethyl orthosilicate 667.92
    tributyl phosphate 614.21
    diacetone alcohol 1392.23
    N,N-dimethylaniline 1135.4
    acrylonitrile 1728.08
    aniline 1040.13
    1,3-propanediol 999.18
    bromobenzene 1676.55
    dibromomethane 3015.85
    1,1,2,2-tetrachloroethane 4146.01
    2-methyl-cyclohexyl acetate 1057.86
    tetrabutyl urea 701.68
    diisobutyl methanol 755.74
    2-phenylethanol 1023.76
    styrene 1021.81
    dioctyl adipate 841.21
    dimethyl sulfate 1049.56
    ethyl butyrate 1170.58
    methyl lactate 755.64
    butyl lactate 869.77
    diethyl carbonate 868.71
    propanediol butyl ether 1135.3
    triethyl orthoformate 858.89
    p-tert-butyltoluene 807.74
    methyl 4-tert-butylbenzoate 1229.08
    morpholine 2000.06
    tert-butylamine 1861.29
    n-dodecanol 549.87
    dimethoxymethane 1324.84
    ethylene carbonate 1406.79
    cyrene 830.25
    2-ethoxyethyl acetate 1031.68
    2-ethylhexyl acetate 1255.66
    1,2,4-trichlorobenzene 1676.42
    4-methylpyridine 2056.66
    dibutyl ether 1168.79
    2,6-dimethyl-4-heptanol 755.74
    DEF 1891.78
    dimethyl isosorbide 1396.88
    tetrachloroethylene 2884.73
    eugenol 1013.67
    triacetin 1190.99
    span 80 949.4
    1,4-butanediol 582.77
    1,1-dichloroethane 3036.56
    2-methyl-1-pentanol 1143.32
    methyl formate 1100.98
    2-methyl-1-butanol 1502.71
    n-decane 405.63
    butyronitrile 1760.49
    3,7-dimethyl-1-octanol 1123.47
    1-chlorooctane 1038.85
    1-chlorotetradecane 427.12
    n-nonane 457.33
    undecane 288.68
    tert-butylcyclohexane 637.16
    cyclooctane 489.08
    cyclopentanol 1635.21
    tetrahydropyran 2204.88
    tert-amyl methyl ether 1811.88
    2,5,8-trioxanonane 1267.5
    1-hexene 1544.98
    2-isopropoxyethanol 1005.98
    2,2,2-trifluoroethanol 735.07
    methyl butyrate 1633.75

    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