Sodium 4-methyl-2-oxovalerate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4502-00-5

    Molecular formula
    C6H9NaO3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 76.71%
    Caramellic 43.51%
    Sweet 42.65%
    Buttery 40.41%
    Sour 33.17%
    Creamy 32.38%
    Cheesy 28.95%
    Fatty 28.67%
    Winey 24.59%
    Milky 23.09%

     

    Flavor
    Fruity 75.57%
    Sweet 35.16%
    Creamy 27.27%
    Berry 24.93%
    Caramel 24.52%
    Buttery 22.87%
    Butter 21.68%
    Grape 20.88%
    Sour 20.8%
    Odorless 20.52%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    4.09 (weak acid)

    Molecular weight
    152.12 g/mol

    Flash point

    • 55.41 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 4502-00-5
    • sodium 4-methyl-2-oxopentanoate
    • Sodium 4-methyl-2-oxovalerate
    • Sodium alpha-ketoisocaproate
    • Sodium ketoisocaproate
    • 4-Methyl-2-oxopentanoic acid sodium salt
    • 4-Methyl-2-oxovaleric acid sodium salt
    • sodium;4-methyl-2-oxopentanoate
    • UNII-815X976CPY
    • 815X976CPY
    • EINECS 224-816-3
    • DTXSID70196363
    • Ketoleucine sodium salt
    • PENTANOIC ACID, 4-METHYL-2-OXO-, SODIUM SALT (1:1)
    • 2-Ketoisocaproic Acid Sodium Salt
    • SMR000875302
    • Sodium 2-Ketoisocaproate
    • Sodium |A-Ketoisocaproate
    • MFCD00064193
    • Pentanoic acid, 4-methyl-2-oxo-, sodium salt
    • MLS001333649
    • MLS001333650
    • sodium4-methyl-2-oxopentanoate
    • SCHEMBL1532427
    • CHEMBL2142054
    • DTXCID80118854
    • a-Ketoisocaproic acid, sodium salt
    • HMS2233D10
    • HMS3372L01
    • AKOS015905337
    • AKOS024462567
    • CS-W018103
    • FS33395
    • s10401
    • AS-15036
    • 2-Oxo-4-methyl pentanoic acid sodium salt
    • NS00082421
    • EN300-220925
    • K10900
    • Q27269215
    • 224-816-3

  • Applications

    Sodium 4-methyl-2-oxovalerate is primarily used as an organic synthesis intermediate and a versatile building block. In industrial contexts it may serve as a precursor for amino acid derivative chemistry and related alpha-keto acid transformations, supporting research and development in pharmaceutical and agrochemical fields. It can function as a reagent for subsequent functionalization in custom syntheses and process chemistry, and its sodium salt form can aid handling, solubility, and formulation compatibility within applicable regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.29
    methanol 376.69
    isopropanol 176.83
    water 7.36
    ethyl acetate 98.26
    n-propanol 166.51
    acetone 223.09
    n-butanol 157.17
    acetonitrile 102.49
    DMF 487.74
    toluene 43.15
    isobutanol 111.04
    1,4-dioxane 167.09
    methyl acetate 125.39
    THF 325.13
    2-butanone 158.25
    n-pentanol 96.08
    sec-butanol 156.93
    n-hexane 12.75
    ethylene glycol 147.39
    NMP 342.16
    cyclohexane 14.81
    DMSO 351.53
    n-butyl acetate 86.33
    n-octanol 78.97
    chloroform 142.59
    n-propyl acetate 50.77
    acetic acid 178.61
    dichloromethane 131.1
    cyclohexanone 153.05
    propylene glycol 162.6
    isopropyl acetate 67.04
    DMAc 297.57
    2-ethoxyethanol 183.34
    isopentanol 121.87
    n-heptane 12.45
    ethyl formate 106.8
    1,2-dichloroethane 130.65
    n-hexanol 141.37
    2-methoxyethanol 395.17
    isobutyl acetate 28.02
    tetrachloromethane 24.29
    n-pentyl acetate 56.73
    transcutol 388.63
    n-heptanol 71.5
    ethylbenzene 36.7
    MIBK 74.92
    2-propoxyethanol 241.76
    tert-butanol 224.97
    MTBE 107.45
    2-butoxyethanol 137.91
    propionic acid 119.18
    o-xylene 47.93
    formic acid 153.05
    diethyl ether 83.88
    m-xylene 42.78
    p-xylene 35.66
    chlorobenzene 65.69
    dimethyl carbonate 57.86
    n-octane 7.46
    formamide 175.46
    cyclopentanone 208.09
    2-pentanone 123.36
    anisole 78.07
    cyclopentyl methyl ether 105.02
    gamma-butyrolactone 217.44
    1-methoxy-2-propanol 287.7
    pyridine 120.97
    3-pentanone 78.83
    furfural 234.74
    n-dodecane 7.36
    diethylene glycol 255.45
    diisopropyl ether 28.94
    tert-amyl alcohol 190.03
    acetylacetone 141.35
    n-hexadecane 7.91
    acetophenone 79.88
    methyl propionate 101.08
    isopentyl acetate 78.83
    trichloroethylene 207.2
    n-nonanol 70.28
    cyclohexanol 116.99
    benzyl alcohol 96.13
    2-ethylhexanol 72.22
    isooctanol 53.32
    dipropyl ether 45.36
    1,2-dichlorobenzene 74.43
    ethyl lactate 65.61
    propylene carbonate 124.3
    n-methylformamide 232.57
    2-pentanol 105.94
    n-pentane 15.27
    1-propoxy-2-propanol 159.18
    1-methoxy-2-propyl acetate 108.79
    2-(2-methoxypropoxy) propanol 145.36
    mesitylene 32.31
    ε-caprolactone 140.14
    p-cymene 34.8
    epichlorohydrin 246.79
    1,1,1-trichloroethane 85.13
    2-aminoethanol 193.42
    morpholine-4-carbaldehyde 294.26
    sulfolane 290.13
    2,2,4-trimethylpentane 12.33
    2-methyltetrahydrofuran 167.81
    n-hexyl acetate 95.5
    isooctane 8.67
    2-(2-butoxyethoxy)ethanol 204.1
    sec-butyl acetate 38.28
    tert-butyl acetate 89.62
    decalin 13.07
    glycerin 194.47
    diglyme 259.6
    acrylic acid 122.63
    isopropyl myristate 40.74
    n-butyric acid 147.17
    acetyl acetate 58.63
    di(2-ethylhexyl) phthalate 53.81
    ethyl propionate 54.42
    nitromethane 244.83
    1,2-diethoxyethane 81.91
    benzonitrile 85.03
    trioctyl phosphate 41.51
    1-bromopropane 71.06
    gamma-valerolactone 262.34
    n-decanol 55.79
    triethyl phosphate 38.36
    4-methyl-2-pentanol 65.85
    propionitrile 86.76
    vinylene carbonate 112.03
    1,1,2-trichlorotrifluoroethane 200.61
    DMS 76.47
    cumene 30.65
    2-octanol 52.64
    2-hexanone 64.17
    octyl acetate 58.95
    limonene 48.72
    1,2-dimethoxyethane 204.95
    ethyl orthosilicate 35.87
    tributyl phosphate 40.2
    diacetone alcohol 190.58
    N,N-dimethylaniline 67.1
    acrylonitrile 126.9
    aniline 79.87
    1,3-propanediol 228.78
    bromobenzene 53.85
    dibromomethane 99.15
    1,1,2,2-tetrachloroethane 190.11
    2-methyl-cyclohexyl acetate 55.63
    tetrabutyl urea 64.26
    diisobutyl methanol 51.0
    2-phenylethanol 117.66
    styrene 38.14
    dioctyl adipate 57.43
    dimethyl sulfate 97.06
    ethyl butyrate 54.31
    methyl lactate 112.85
    butyl lactate 77.8
    diethyl carbonate 39.5
    propanediol butyl ether 179.39
    triethyl orthoformate 42.02
    p-tert-butyltoluene 36.72
    methyl 4-tert-butylbenzoate 102.01
    morpholine 210.33
    tert-butylamine 120.62
    n-dodecanol 43.8
    dimethoxymethane 199.69
    ethylene carbonate 81.14
    cyrene 127.56
    2-ethoxyethyl acetate 78.97
    2-ethylhexyl acetate 53.92
    1,2,4-trichlorobenzene 87.86
    4-methylpyridine 120.24
    dibutyl ether 42.95
    2,6-dimethyl-4-heptanol 51.0
    DEF 151.73
    dimethyl isosorbide 200.49
    tetrachloroethylene 120.06
    eugenol 134.25
    triacetin 74.8
    span 80 129.89
    1,4-butanediol 108.03
    1,1-dichloroethane 105.62
    2-methyl-1-pentanol 84.52
    methyl formate 178.6
    2-methyl-1-butanol 113.96
    n-decane 10.08
    butyronitrile 93.91
    3,7-dimethyl-1-octanol 74.49
    1-chlorooctane 39.57
    1-chlorotetradecane 19.23
    n-nonane 9.63
    undecane 8.54
    tert-butylcyclohexane 12.67
    cyclooctane 7.67
    cyclopentanol 138.07
    tetrahydropyran 119.64
    tert-amyl methyl ether 98.28
    2,5,8-trioxanonane 219.68
    1-hexene 35.88
    2-isopropoxyethanol 112.01
    2,2,2-trifluoroethanol 76.57
    methyl butyrate 76.02

    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