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

    Fruity 61.49%
    Odorless 43.54%
    Buttery 33.21%
    Caramellic 30.72%
    Cheesy 29.42%
    Sour 26.81%
    Sharp 23.63%
    Pungent 20.5%
    Dairy 19.87%
    Milky 19.24%

    Scent© AI

  • Properties

    pKa est.
    -210164.73 (strong acid)

    Molecular weight
    138.1 g/mol

    Flash point est.
    71.44 ˚C

    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

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.97
    methanol 28.12
    isopropanol 0.81
    water 58.03
    ethyl acetate 0.32
    n-propanol 1.42
    acetone 0.49
    n-butanol 0.75
    acetonitrile 0.25
    DMF 1.59
    toluene 0.08
    isobutanol 0.52
    1,4-dioxane 1.04
    methyl acetate 0.37
    THF 1.17
    2-butanone 0.25
    n-pentanol 0.75
    sec-butanol 0.49
    n-hexane 0.07
    ethylene glycol 39.68
    NMP 10.03
    cyclohexane 0.1
    DMSO 15.28
    n-butyl acetate 0.51
    n-octanol 0.8
    chloroform 1.51
    n-propyl acetate 0.32
    acetic acid 19.4
    dichloromethane 2.23
    cyclohexanone 0.7
    propylene glycol 10.96
    isopropyl acetate 0.19
    DMAc 2.31
    2-ethoxyethanol 6.41
    isopentanol 0.45
    n-heptane 0.09
    ethyl formate 1.23
    1,2-dichloroethane 1.28
    n-hexanol 1.19
    2-methoxyethanol 17.25
    isobutyl acetate 0.19
    tetrachloromethane 0.37
    n-pentyl acetate 0.68
    transcutol 12.84
    n-heptanol 1.25
    ethylbenzene 0.13
    MIBK 0.18
    2-propoxyethanol 5.86
    tert-butanol 0.61
    MTBE 0.11
    2-butoxyethanol 4.73
    propionic acid 3.48
    o-xylene 0.17
    formic acid 105.47
    diethyl ether 0.16
    m-xylene 0.12
    p-xylene 0.14
    chlorobenzene 0.23
    dimethyl carbonate 0.57
    n-octane 0.06
    formamide 78.75
    cyclopentanone 0.93
    2-pentanone 0.2
    anisole 0.33
    cyclopentyl methyl ether 0.31
    gamma-butyrolactone 3.18
    1-methoxy-2-propanol 4.07
    pyridine 0.64
    3-pentanone 0.17
    furfural 8.1
    n-dodecane 0.05
    diethylene glycol 21.43
    diisopropyl ether 0.06
    tert-amyl alcohol 0.6
    acetylacetone 0.61
    n-hexadecane 0.05
    acetophenone 0.79
    methyl propionate 0.42
    isopentyl acetate 0.47
    trichloroethylene 1.98
    n-nonanol 0.75
    cyclohexanol 0.63
    benzyl alcohol 1.27
    2-ethylhexanol 0.59
    isooctanol 0.85
    dipropyl ether 0.21
    1,2-dichlorobenzene 0.57
    ethyl lactate 1.68
    propylene carbonate 2.15
    n-methylformamide 4.68
    2-pentanol 0.27
    n-pentane 0.06
    1-propoxy-2-propanol 2.62
    1-methoxy-2-propyl acetate 1.24
    2-(2-methoxypropoxy) propanol 4.6
    mesitylene 0.12
    ε-caprolactone 1.43
    p-cymene 0.27
    epichlorohydrin 2.61
    1,1,1-trichloroethane 0.28
    2-aminoethanol 22.63
    morpholine-4-carbaldehyde 8.27
    sulfolane 11.84
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 0.47
    n-hexyl acetate 0.85
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.26
    sec-butyl acetate 0.17
    tert-butyl acetate 0.26
    decalin 0.07
    glycerin 39.19
    diglyme 7.51
    acrylic acid 7.9
    isopropyl myristate 0.31
    n-butyric acid 1.71
    acetyl acetate 0.47
    di(2-ethylhexyl) phthalate 1.67
    ethyl propionate 0.27
    nitromethane 6.85
    1,2-diethoxyethane 0.78
    benzonitrile 0.44
    trioctyl phosphate 1.05
    1-bromopropane 0.26
    gamma-valerolactone 3.93
    n-decanol 0.61
    triethyl phosphate 0.81
    4-methyl-2-pentanol 0.22
    propionitrile 0.15
    vinylene carbonate 2.42
    1,1,2-trichlorotrifluoroethane 14.52
    DMS 1.39
    cumene 0.17
    2-octanol 0.52
    2-hexanone 0.24
    octyl acetate 0.6
    limonene 0.27
    1,2-dimethoxyethane 2.17
    ethyl orthosilicate 0.67
    tributyl phosphate 1.0
    diacetone alcohol 1.24
    N,N-dimethylaniline 0.51
    acrylonitrile 0.39
    aniline 0.48
    1,3-propanediol 12.31
    bromobenzene 0.18
    dibromomethane 1.14
    1,1,2,2-tetrachloroethane 2.17
    2-methyl-cyclohexyl acetate 0.8
    tetrabutyl urea 1.41
    diisobutyl methanol 0.32
    2-phenylethanol 1.75
    styrene 0.11
    dioctyl adipate 0.87
    dimethyl sulfate 2.21
    ethyl butyrate 0.4
    methyl lactate 3.02
    butyl lactate 2.49
    diethyl carbonate 0.48
    propanediol butyl ether 6.76
    triethyl orthoformate 0.53
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 2.26
    morpholine 1.44
    tert-butylamine 0.28
    n-dodecanol 0.47
    dimethoxymethane 1.28
    ethylene carbonate 1.33
    cyrene 8.06
    2-ethoxyethyl acetate 1.69
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 0.89
    4-methylpyridine 0.27
    dibutyl ether 0.19
    2,6-dimethyl-4-heptanol 0.32
    DEF 0.55
    dimethyl isosorbide 6.35
    tetrachloroethylene 2.7
    eugenol 4.23
    triacetin 2.27
    span 80 5.17
    1,4-butanediol 6.52
    1,1-dichloroethane 0.27
    2-methyl-1-pentanol 0.54
    methyl formate 3.53
    2-methyl-1-butanol 0.48
    n-decane 0.06
    butyronitrile 0.15
    3,7-dimethyl-1-octanol 0.5
    1-chlorooctane 0.21
    1-chlorotetradecane 0.11
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 0.96
    tetrahydropyran 0.26
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 6.9
    1-hexene 0.09
    2-isopropoxyethanol 2.27
    2,2,2-trifluoroethanol 13.23
    methyl butyrate 0.41

    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