Methyl pivalate

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  • Identifiers

    CAS number
    598-98-1

    Molecular formula
    C6H12O2

    SMILES
    CC(C)(C)C(=O)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.47%
    Ethereal 58.05%
    Fresh 46.83%
    Apple 40.26%
    Rummy 33.08%
    Sweet 31.42%
    Tropical 31.23%
    Herbal 30.76%
    Sharp 30.31%
    Pungent 28.99%

     

    Flavor
    Fruity 60.38%
    Sweet 48.65%
    Green 46.34%
    Apple 33.66%
    Tropical 32.77%
    Floral 31.75%
    Pungent 31.34%
    Bitter 30.86%
    Citrus 29.95%
    Herbal 27.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.75 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    100°C

    Flash point

    • 9.93 ˚C est.

  • Synonyms

    • Methyl pivalate
    • Methyl trimethylacetate
    • 598-98-1
    • Propanoic acid, 2,2-dimethyl-, methyl ester
    • methyl 2,2-dimethylpropanoate
    • Pivalic acid, methyl ester
    • UNII-BFX9W386OX
    • BFX9W386OX
    • DTXSID4027234
    • tert-C4H9COOCH3
    • EINECS 209-959-1
    • 2,2-Dimethylpropanoic acid methyl ester
    • DTXCID607234
    • 2,2-Dimethyl-propionic acid methyl ester
    • methyl pivaloate
    • PIVALIC ACID METHYL ESTER
    • MFCD00008843
    • Methyl 2,2dimethylpropionate
    • SCHEMBL15139
    • CHEMBL32422
    • Methyl trimethylacetate, 99%
    • Trimethylacetic Acid Methyl Ester
    • Methyl pivalate, analytical standard
    • Tox21_200448
    • AKOS009157158
    • 2,2Dimethylpropanoic acid, methyl ester
    • 2,2-Dimethylpropionic Acid Methyl Ester
    • NCGC00248622-01
    • NCGC00258002-01
    • CAS-598-98-1
    • Propanoic acid, 2,2dimethyl, methyl ester
    • DB-072717
    • NS00034266
    • P0462
    • Methyl pivalate, for GC/MS, >=99.9% (GC)
    • Q2717340
    • 209-959-1

  • Applications

    Methyl pivalate (CAS 598-98-1) is commonly used as a solvent and processing aid in various industrial applications. It may serve as a solvent in coatings and inks, helping dissolve resinous components and assist film formation. It is employed as a component in adhesive formulations, contributing solvent action and formulation stability. In perfumery/fragrance, it may function as a solvent or carrier for aroma compounds. It can also be used as an intermediate or processing solvent in polymer and plastics manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2158.33
    methanol 2876.27
    isopropanol 1634.81
    water 66.16
    ethyl acetate 1312.28
    n-propanol 1532.97
    acetone 1392.65
    n-butanol 1545.0
    acetonitrile 1705.19
    DMF 1440.6
    toluene 557.52
    isobutanol 1164.81
    1,4-dioxane 1672.87
    methyl acetate 1154.83
    THF 1608.24
    2-butanone 1118.58
    n-pentanol 948.09
    sec-butanol 1456.12
    n-hexane 431.03
    ethylene glycol 574.46
    NMP 1182.65
    cyclohexane 526.22
    DMSO 885.26
    n-butyl acetate 859.51
    n-octanol 611.22
    chloroform 3707.49
    n-propyl acetate 742.29
    acetic acid 2256.74
    dichloromethane 2661.99
    cyclohexanone 1316.88
    propylene glycol 603.0
    isopropyl acetate 840.17
    DMAc 1157.43
    2-ethoxyethanol 1321.53
    isopentanol 1248.18
    n-heptane 274.45
    ethyl formate 1041.61
    1,2-dichloroethane 1350.96
    n-hexanol 1030.02
    2-methoxyethanol 2073.58
    isobutyl acetate 442.99
    tetrachloromethane 1291.08
    n-pentyl acetate 610.77
    transcutol 1858.5
    n-heptanol 567.14
    ethylbenzene 401.71
    MIBK 674.76
    2-propoxyethanol 1330.9
    tert-butanol 1899.28
    MTBE 1392.53
    2-butoxyethanol 841.79
    propionic acid 1228.97
    o-xylene 475.28
    formic acid 1439.08
    diethyl ether 1527.66
    m-xylene 461.01
    p-xylene 585.57
    chlorobenzene 688.01
    dimethyl carbonate 404.96
    n-octane 123.19
    formamide 1351.68
    cyclopentanone 1218.25
    2-pentanone 1109.77
    anisole 679.33
    cyclopentyl methyl ether 1085.35
    gamma-butyrolactone 1424.33
    1-methoxy-2-propanol 1411.59
    pyridine 1021.68
    3-pentanone 820.36
    furfural 1334.24
    n-dodecane 73.68
    diethylene glycol 918.65
    diisopropyl ether 588.97
    tert-amyl alcohol 1643.38
    acetylacetone 933.68
    n-hexadecane 80.42
    acetophenone 604.81
    methyl propionate 890.97
    isopentyl acetate 745.93
    trichloroethylene 2660.55
    n-nonanol 490.06
    cyclohexanol 1256.84
    benzyl alcohol 572.67
    2-ethylhexanol 617.75
    isooctanol 453.92
    dipropyl ether 715.91
    1,2-dichlorobenzene 739.95
    ethyl lactate 388.51
    propylene carbonate 972.18
    n-methylformamide 1274.39
    2-pentanol 1230.99
    n-pentane 456.36
    1-propoxy-2-propanol 948.63
    1-methoxy-2-propyl acetate 679.73
    2-(2-methoxypropoxy) propanol 511.14
    mesitylene 347.53
    ε-caprolactone 1219.04
    p-cymene 337.65
    epichlorohydrin 1544.34
    1,1,1-trichloroethane 2151.42
    2-aminoethanol 1013.62
    morpholine-4-carbaldehyde 1321.26
    sulfolane 1200.24
    2,2,4-trimethylpentane 237.85
    2-methyltetrahydrofuran 1508.46
    n-hexyl acetate 873.64
    isooctane 167.05
    2-(2-butoxyethoxy)ethanol 769.98
    sec-butyl acetate 538.19
    tert-butyl acetate 924.69
    decalin 228.97
    glycerin 738.09
    diglyme 1324.57
    acrylic acid 1112.08
    isopropyl myristate 282.67
    n-butyric acid 1651.86
    acetyl acetate 804.57
    di(2-ethylhexyl) phthalate 260.36
    ethyl propionate 668.24
    nitromethane 2239.26
    1,2-diethoxyethane 852.73
    benzonitrile 755.19
    trioctyl phosphate 215.81
    1-bromopropane 1101.87
    gamma-valerolactone 1603.19
    n-decanol 331.51
    triethyl phosphate 301.2
    4-methyl-2-pentanol 638.46
    propionitrile 1176.78
    vinylene carbonate 958.57
    1,1,2-trichlorotrifluoroethane 1469.88
    DMS 504.22
    cumene 331.62
    2-octanol 454.93
    2-hexanone 708.51
    octyl acetate 374.41
    limonene 497.53
    1,2-dimethoxyethane 1631.85
    ethyl orthosilicate 335.73
    tributyl phosphate 265.84
    diacetone alcohol 912.78
    N,N-dimethylaniline 506.33
    acrylonitrile 1199.26
    aniline 646.06
    1,3-propanediol 1353.16
    bromobenzene 738.17
    dibromomethane 1993.59
    1,1,2,2-tetrachloroethane 2245.27
    2-methyl-cyclohexyl acetate 482.73
    tetrabutyl urea 292.13
    diisobutyl methanol 391.38
    2-phenylethanol 575.6
    styrene 429.84
    dioctyl adipate 350.85
    dimethyl sulfate 515.06
    ethyl butyrate 632.38
    methyl lactate 458.26
    butyl lactate 457.14
    diethyl carbonate 436.5
    propanediol butyl ether 689.92
    triethyl orthoformate 464.35
    p-tert-butyltoluene 351.12
    methyl 4-tert-butylbenzoate 519.9
    morpholine 1809.58
    tert-butylamine 1482.76
    n-dodecanol 242.79
    dimethoxymethane 1128.33
    ethylene carbonate 800.08
    cyrene 495.65
    2-ethoxyethyl acetate 637.88
    2-ethylhexyl acetate 598.93
    1,2,4-trichlorobenzene 839.6
    4-methylpyridine 1125.58
    dibutyl ether 572.84
    2,6-dimethyl-4-heptanol 391.38
    DEF 1174.95
    dimethyl isosorbide 775.55
    tetrachloroethylene 1856.8
    eugenol 492.95
    triacetin 535.37
    span 80 487.68
    1,4-butanediol 609.59
    1,1-dichloroethane 1863.99
    2-methyl-1-pentanol 840.0
    methyl formate 1021.03
    2-methyl-1-butanol 1234.57
    n-decane 137.14
    butyronitrile 1360.77
    3,7-dimethyl-1-octanol 524.11
    1-chlorooctane 409.72
    1-chlorotetradecane 148.05
    n-nonane 148.48
    undecane 94.04
    tert-butylcyclohexane 252.87
    cyclooctane 206.97
    cyclopentanol 1086.29
    tetrahydropyran 1541.18
    tert-amyl methyl ether 1154.04
    2,5,8-trioxanonane 771.1
    1-hexene 763.05
    2-isopropoxyethanol 883.58
    2,2,2-trifluoroethanol 957.25
    methyl butyrate 867.34

    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