Ethyl 3-methyl-2-oxobutyrate

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  • Identifiers

    CAS number
    20201-24-5

    Molecular formula
    C7H12O3

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 89.31%
    Caramellic 61.25%
    Sweet 46.05%
    Apple 40.32%
    Buttery 39.81%
    Herbal 37.44%
    Berry 36.65%
    Winey 35.48%
    Ethereal 35.11%
    Creamy 32.29%

     

    Flavor
    Fruity 82.18%
    Creamy 44.75%
    Buttery 35.82%
    Sweet 35.08%
    Berry 34.2%
    Grape 32.76%
    Butter 30.59%
    Caramel 30.06%
    Fatty 27.57%
    Cheese 26.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.71 (neutral)

    Molecular weight
    144.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point

    • 57.81 ˚C est.

  • Synonyms

    • 20201-24-5
    • Ethyl 3-methyl-2-oxobutyrate
    • Ethyl 3-methyl-2-oxobutanoate
    • EINECS 243-587-0
    • DTXSID20174050
    • RefChem:595018
    • DTXCID7096541
    • 243-587-0
    • Butanoic acid, 3-methyl-2-oxo-, ethyl ester
    • Ethyl dimethylpyruvate
    • Ethyl 2-methyl-2-oxobutyrate
    • MFCD00009122
    • ethyl 3-methyl-2-oxo-butanoate
    • Ketovaline ethyl ester
    • Ethyl3-methyl-2-oxobutanoate
    • ethyl 2-oxo-3-methylbutanoate
    • PLD5SDR4SK
    • SCHEMBL166879
    • ethyl-3-methyl-2-oxobutanoate
    • CHEMBL172106
    • Ethyl 3-methyl-2-oxobutanoate #
    • Ethyl 3-methyl-2-oxobutyrate, 97%
    • AKOS000120796
    • 3-Methyl-2-oxo-butyric acid ethyl ester
    • AS-77384
    • SY027369
    • DB-045129
    • CS-0151907
    • NS00026548
    • EN300-20843
    • 201E245
    • F091216
    • 20201-24-5

  • Applications

    Ethyl 3-methyl-2-oxobutyrate is a versatile beta-ketoester intermediate used in organic synthesis to build complex molecules. It serves as a building block in pharmaceutical and agrochemical synthesis, enabling reactions such as Knoevenagel condensations, Michael additions, and cyclizations to construct heterocycles and other motifs. It is also evaluated as a fragrance and flavor intermediate in the aroma and food industries. In polymer and materials research, it provides a beta-ketoester motif for further derivatization and incorporation into functionalized polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 788.93
    methanol 860.21
    isopropanol 714.72
    water 14.89
    ethyl acetate 584.09
    n-propanol 696.44
    acetone 1051.65
    n-butanol 630.91
    acetonitrile 992.7
    DMF 1492.35
    toluene 296.1
    isobutanol 529.39
    1,4-dioxane 1142.91
    methyl acetate 787.67
    THF 1008.66
    2-butanone 804.09
    n-pentanol 509.33
    sec-butanol 779.6
    n-hexane 97.8
    ethylene glycol 275.66
    NMP 1370.53
    cyclohexane 231.76
    DMSO 914.38
    n-butyl acetate 590.47
    n-octanol 409.24
    chloroform 2858.07
    n-propyl acetate 457.25
    acetic acid 1380.23
    dichloromethane 2545.91
    cyclohexanone 1327.97
    propylene glycol 329.73
    isopropyl acetate 316.11
    DMAc 1038.58
    2-ethoxyethanol 580.62
    isopentanol 455.74
    n-heptane 74.87
    ethyl formate 739.62
    1,2-dichloroethane 1353.22
    n-hexanol 521.83
    2-methoxyethanol 945.78
    isobutyl acetate 232.78
    tetrachloromethane 416.93
    n-pentyl acetate 427.22
    transcutol 915.56
    n-heptanol 319.34
    ethylbenzene 267.65
    MIBK 277.8
    2-propoxyethanol 559.61
    tert-butanol 664.2
    MTBE 455.64
    2-butoxyethanol 406.87
    propionic acid 873.85
    o-xylene 266.43
    formic acid 478.13
    diethyl ether 429.7
    m-xylene 221.3
    p-xylene 396.64
    chlorobenzene 772.19
    dimethyl carbonate 262.82
    n-octane 60.04
    formamide 650.75
    cyclopentanone 1185.46
    2-pentanone 540.16
    anisole 467.69
    cyclopentyl methyl ether 439.77
    gamma-butyrolactone 1519.53
    1-methoxy-2-propanol 630.96
    pyridine 1158.25
    3-pentanone 433.81
    furfural 1585.3
    n-dodecane 55.55
    diethylene glycol 472.87
    diisopropyl ether 134.61
    tert-amyl alcohol 661.25
    acetylacetone 568.09
    n-hexadecane 62.48
    acetophenone 538.31
    methyl propionate 536.67
    isopentyl acetate 446.84
    trichloroethylene 2839.52
    n-nonanol 332.16
    cyclohexanol 781.02
    benzyl alcohol 497.47
    2-ethylhexanol 320.72
    isooctanol 238.83
    dipropyl ether 235.3
    1,2-dichlorobenzene 815.17
    ethyl lactate 285.9
    propylene carbonate 904.88
    n-methylformamide 959.85
    2-pentanol 444.3
    n-pentane 98.99
    1-propoxy-2-propanol 418.66
    1-methoxy-2-propyl acetate 363.03
    2-(2-methoxypropoxy) propanol 359.02
    mesitylene 163.04
    ε-caprolactone 1045.14
    p-cymene 189.95
    epichlorohydrin 1349.51
    1,1,1-trichloroethane 1210.45
    2-aminoethanol 427.97
    morpholine-4-carbaldehyde 1034.28
    sulfolane 1522.46
    2,2,4-trimethylpentane 57.95
    2-methyltetrahydrofuran 811.3
    n-hexyl acetate 639.2
    isooctane 39.84
    2-(2-butoxyethoxy)ethanol 492.87
    sec-butyl acetate 244.18
    tert-butyl acetate 317.31
    decalin 104.77
    glycerin 390.63
    diglyme 827.06
    acrylic acid 897.7
    isopropyl myristate 225.77
    n-butyric acid 891.68
    acetyl acetate 395.15
    di(2-ethylhexyl) phthalate 224.25
    ethyl propionate 379.48
    nitromethane 1924.6
    1,2-diethoxyethane 384.72
    benzonitrile 818.14
    trioctyl phosphate 197.97
    1-bromopropane 632.39
    gamma-valerolactone 1352.51
    n-decanol 243.6
    triethyl phosphate 222.81
    4-methyl-2-pentanol 201.68
    propionitrile 728.24
    vinylene carbonate 1000.98
    1,1,2-trichlorotrifluoroethane 1152.3
    DMS 432.07
    cumene 200.3
    2-octanol 311.4
    2-hexanone 443.85
    octyl acetate 318.26
    limonene 262.55
    1,2-dimethoxyethane 907.51
    ethyl orthosilicate 188.63
    tributyl phosphate 230.38
    diacetone alcohol 428.31
    N,N-dimethylaniline 329.33
    acrylonitrile 988.51
    aniline 466.83
    1,3-propanediol 585.65
    bromobenzene 784.1
    dibromomethane 1618.8
    1,1,2,2-tetrachloroethane 2233.1
    2-methyl-cyclohexyl acetate 331.96
    tetrabutyl urea 295.96
    diisobutyl methanol 174.74
    2-phenylethanol 439.25
    styrene 347.35
    dioctyl adipate 325.59
    dimethyl sulfate 451.2
    ethyl butyrate 389.75
    methyl lactate 354.7
    butyl lactate 343.78
    diethyl carbonate 337.23
    propanediol butyl ether 475.83
    triethyl orthoformate 264.28
    p-tert-butyltoluene 182.57
    methyl 4-tert-butylbenzoate 448.68
    morpholine 1098.99
    tert-butylamine 431.48
    n-dodecanol 189.44
    dimethoxymethane 551.24
    ethylene carbonate 737.57
    cyrene 388.92
    2-ethoxyethyl acetate 414.4
    2-ethylhexyl acetate 351.06
    1,2,4-trichlorobenzene 936.9
    4-methylpyridine 900.01
    dibutyl ether 305.24
    2,6-dimethyl-4-heptanol 174.74
    DEF 684.22
    dimethyl isosorbide 535.55
    tetrachloroethylene 1529.25
    eugenol 429.75
    triacetin 476.23
    span 80 379.41
    1,4-butanediol 322.26
    1,1-dichloroethane 1285.12
    2-methyl-1-pentanol 391.8
    methyl formate 824.2
    2-methyl-1-butanol 493.35
    n-decane 87.68
    butyronitrile 768.13
    3,7-dimethyl-1-octanol 313.99
    1-chlorooctane 293.22
    1-chlorotetradecane 123.27
    n-nonane 90.27
    undecane 67.71
    tert-butylcyclohexane 83.2
    cyclooctane 70.05
    cyclopentanol 828.64
    tetrahydropyran 931.08
    tert-amyl methyl ether 347.31
    2,5,8-trioxanonane 564.44
    1-hexene 289.64
    2-isopropoxyethanol 370.96
    2,2,2-trifluoroethanol 452.18
    methyl butyrate 605.37

    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