Sodium 3-methyl-2-oxobutyrate

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  • Identifiers

    CAS number
    3715-29-5

    Molecular formula
    C5H7NaO3

    SMILES
    CC(C)C(=O)C(=O)[O-].[Na+]

  • Odor profile

    Fragrance
    Fruity 80.91%
    Caramellic 59.31%
    Buttery 52.42%
    Sweet 45.67%
    Creamy 40.97%
    Fatty 32.84%
    Sour 31.24%
    Cheesy 29.57%
    Milky 28.64%
    Dairy 25.56%

     

    Flavor
    Fruity 67.52%
    Creamy 37.28%
    Sweet 35.04%
    Caramel 33.71%
    Buttery 31.68%
    Butter 25.64%
    Nutty 24.14%
    Odorless 23.08%
    Grape 22.95%
    Brown 22.3%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    4.62 (weak acid)

    Molecular weight
    138.1 g/mol

    Flash point

    • 49.15 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Sodium 3-methyl-2-oxobutanoate
    • 3715-29-5
    • Sodium dimethylpyruvate
    • Sodium 3-methyl-2-oxobutyrate
    • sodium;3-methyl-2-oxobutanoate
    • Butanoic acid, 3-methyl-2-oxo-, sodium salt
    • 3-Methyl-2-oxobutyric acid sodium salt
    • 3-Methyl-2-oxobutanoic acid, sodium salt
    • Ketovaline sodium salt
    • 5OM3H751IU
    • 3-Methyl-2-oxobutanoic acid sodium salt
    • EINECS 223-062-2
    • MFCD00002581
    • SODIUM 2-OXOISOVALERATE
    • DTXSID60190633
    • a-Keto Isovaleric Acid Sodium Salt
    • SODIUM .ALPHA.-OXOISOVALERATE
    • alpha-Keto Isovaleric Acid Sodium Salt
    • FEMA NO. 3869, SODIUM SALT-
    • alpha-Ketoisovaleric Acid-3-d Sodium Salt
    • BUTANOIC ACID, 3-METHYL-2-OXO-, SODIUM SALT (1:1)
    • alpha-KetoIsovalericAcid-13CSodiumSalt
    • UNII-5OM3H751IU
    • Sodium3-methyl-2-oxobutanoate
    • 1173023-03-4
    • 3-Methyl-2-oxobutanoic acid,sodium salt
    • SCHEMBL468255
    • Sodium-3-methyl-2-oxobutyrate
    • sodium 3-methyl-2-oxo-butyrate
    • DTXCID00113124
    • CHEBI:189431
    • SODIUM ALPHA-OXOISOVALERATE
    • BCP18017
    • HY-W006057A
    • ?-Keto Isovaleric Acid Sodium Salt
    • SODIUM .ALPHA.-KETOISOVALERATE
    • AKOS015893034
    • alpha -Ketoisovaleric Acid Sodium Salt
    • AS-60113
    • FS139533
    • SY101952
    • DB-049078
    • CS-0128729
    • NS00083273
    • O12076
    • Q27262654

  • Applications

    Sodium 3-methyl-2-oxobutyrate (CAS 3715-29-5) is primarily used as a reactive intermediate and building block in organic synthesis for pharmaceutical and specialty chemicals, enabling access to alpha-keto acid derivatives and amino acid–related compounds. It serves as a substrate in biocatalytic and chemical transformations, including transamination- and decarboxylation-type steps, to furnish chiral amino acid derivatives. It is employed for the synthesis of beta-keto esters and other diketone building blocks used in polymer and coating chemistries. In industrial manufacturing, it acts as a versatile feedstock for preparative routes, and in research it is used as a reference material for analytical method development and enzyme studies, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.07
    methanol 299.53
    isopropanol 117.42
    water 18.19
    ethyl acetate 169.87
    n-propanol 133.88
    acetone 216.48
    n-butanol 111.32
    acetonitrile 158.5
    DMF 374.68
    toluene 29.92
    isobutanol 84.84
    1,4-dioxane 219.0
    methyl acetate 216.6
    THF 245.98
    2-butanone 174.39
    n-pentanol 83.98
    sec-butanol 126.01
    n-hexane 11.28
    ethylene glycol 149.8
    NMP 661.13
    cyclohexane 15.56
    DMSO 453.07
    n-butyl acetate 149.02
    n-octanol 89.53
    chloroform 253.4
    n-propyl acetate 86.59
    acetic acid 648.1
    dichloromethane 276.19
    cyclohexanone 249.39
    propylene glycol 135.46
    isopropyl acetate 88.17
    DMAc 300.48
    2-ethoxyethanol 206.72
    isopentanol 86.12
    n-heptane 11.27
    ethyl formate 151.17
    1,2-dichloroethane 203.25
    n-hexanol 121.97
    2-methoxyethanol 346.77
    isobutyl acetate 41.39
    tetrachloromethane 36.92
    n-pentyl acetate 106.3
    transcutol 568.83
    n-heptanol 77.88
    ethylbenzene 29.86
    MIBK 74.27
    2-propoxyethanol 225.91
    tert-butanol 143.36
    MTBE 74.54
    2-butoxyethanol 151.12
    propionic acid 324.38
    o-xylene 39.07
    formic acid 418.35
    diethyl ether 73.74
    m-xylene 32.25
    p-xylene 37.64
    chlorobenzene 110.83
    dimethyl carbonate 79.11
    n-octane 7.86
    formamide 473.25
    cyclopentanone 286.96
    2-pentanone 129.33
    anisole 78.49
    cyclopentyl methyl ether 102.8
    gamma-butyrolactone 504.65
    1-methoxy-2-propanol 220.9
    pyridine 169.45
    3-pentanone 97.91
    furfural 469.38
    n-dodecane 7.79
    diethylene glycol 249.54
    diisopropyl ether 27.96
    tert-amyl alcohol 144.0
    acetylacetone 190.71
    n-hexadecane 8.5
    acetophenone 117.01
    methyl propionate 160.97
    isopentyl acetate 118.47
    trichloroethylene 467.76
    n-nonanol 77.28
    cyclohexanol 125.68
    benzyl alcohol 99.82
    2-ethylhexanol 78.05
    isooctanol 60.5
    dipropyl ether 43.76
    1,2-dichlorobenzene 150.57
    ethyl lactate 86.61
    propylene carbonate 288.73
    n-methylformamide 291.45
    2-pentanol 85.02
    n-pentane 10.75
    1-propoxy-2-propanol 164.71
    1-methoxy-2-propyl acetate 143.85
    2-(2-methoxypropoxy) propanol 172.75
    mesitylene 25.98
    ε-caprolactone 296.61
    p-cymene 35.01
    epichlorohydrin 376.25
    1,1,1-trichloroethane 136.95
    2-aminoethanol 180.23
    morpholine-4-carbaldehyde 425.24
    sulfolane 700.66
    2,2,4-trimethylpentane 10.66
    2-methyltetrahydrofuran 201.66
    n-hexyl acetate 171.16
    isooctane 7.45
    2-(2-butoxyethoxy)ethanol 249.7
    sec-butyl acetate 53.32
    tert-butyl acetate 107.18
    decalin 13.13
    glycerin 224.23
    diglyme 321.23
    acrylic acid 389.37
    isopropyl myristate 61.72
    n-butyric acid 240.17
    acetyl acetate 128.15
    di(2-ethylhexyl) phthalate 73.14
    ethyl propionate 83.59
    nitromethane 760.79
    1,2-diethoxyethane 128.71
    benzonitrile 124.37
    trioctyl phosphate 59.22
    1-bromopropane 78.88
    gamma-valerolactone 427.15
    n-decanol 59.9
    triethyl phosphate 55.9
    4-methyl-2-pentanol 52.24
    propionitrile 96.35
    vinylene carbonate 273.14
    1,1,2-trichlorotrifluoroethane 385.72
    DMS 158.98
    cumene 27.48
    2-octanol 60.59
    2-hexanone 81.77
    octyl acetate 91.66
    limonene 53.17
    1,2-dimethoxyethane 188.81
    ethyl orthosilicate 47.33
    tributyl phosphate 70.78
    diacetone alcohol 192.38
    N,N-dimethylaniline 63.3
    acrylonitrile 169.43
    aniline 81.93
    1,3-propanediol 197.56
    bromobenzene 87.98
    dibromomethane 169.73
    1,1,2,2-tetrachloroethane 345.47
    2-methyl-cyclohexyl acetate 88.91
    tetrabutyl urea 91.46
    diisobutyl methanol 47.69
    2-phenylethanol 124.77
    styrene 35.19
    dioctyl adipate 94.72
    dimethyl sulfate 187.73
    ethyl butyrate 83.66
    methyl lactate 147.05
    butyl lactate 118.04
    diethyl carbonate 63.74
    propanediol butyl ether 197.5
    triethyl orthoformate 58.77
    p-tert-butyltoluene 35.93
    methyl 4-tert-butylbenzoate 146.56
    morpholine 255.47
    tert-butylamine 73.05
    n-dodecanol 46.26
    dimethoxymethane 149.0
    ethylene carbonate 189.05
    cyrene 168.11
    2-ethoxyethyl acetate 164.49
    2-ethylhexyl acetate 91.15
    1,2,4-trichlorobenzene 185.99
    4-methylpyridine 149.45
    dibutyl ether 55.7
    2,6-dimethyl-4-heptanol 47.69
    DEF 189.2
    dimethyl isosorbide 265.11
    tetrachloroethylene 247.5
    eugenol 155.99
    triacetin 166.33
    span 80 172.04
    1,4-butanediol 103.38
    1,1-dichloroethane 136.91
    2-methyl-1-pentanol 76.21
    methyl formate 240.99
    2-methyl-1-butanol 89.03
    n-decane 10.93
    butyronitrile 83.82
    3,7-dimethyl-1-octanol 79.19
    1-chlorooctane 48.12
    1-chlorotetradecane 21.35
    n-nonane 10.5
    undecane 9.07
    tert-butylcyclohexane 11.9
    cyclooctane 6.81
    cyclopentanol 154.7
    tetrahydropyran 132.18
    tert-amyl methyl ether 79.78
    2,5,8-trioxanonane 250.57
    1-hexene 29.72
    2-isopropoxyethanol 121.67
    2,2,2-trifluoroethanol 254.89
    methyl butyrate 114.94

    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