alpha-Keto-beta-methylvaleric acid

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  • Identifiers

    CAS number
    1460-34-0

    Molecular formula
    C6H10O3

    SMILES
    CCC(C)C(=O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 85.08%
    Caramellic 56.11%
    Buttery 47.59%
    Cheesy 38.95%
    Creamy 38.63%
    Sweet 35.21%
    Sour 34.22%
    Fatty 30.13%
    Milky 28.54%
    Dairy 28.51%

     

    Flavor
    Fruity 74.23%
    Caramel 43.02%
    Sweet 39.79%
    Creamy 36.59%
    Buttery 32.79%
    Butter 30.92%
    Sour 29.18%
    Cheese 29.02%
    Berry 26.89%
    Brown 23.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.03 (neutral)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    204°C

    Flash point

    • 98.29 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-Methyl-2-oxovaleric acid
    • 1460-34-0
    • alpha-Keto-beta-methylvaleric acid
    • 3-Ethyl-3-methylpyruvic acid
    • 2-OXO-3-METHYLVALERIC ACID
    • 2-Oxo-3-methylpentanoic acid
    • 3-methyl-2-oxo-pentanoic acid
    • 2-oxo-3-methyl-n-valeric acid
    • 2-oxoisoleucine
    • 787T50HCIV
    • alpha-keto-beta-methyl-n-valeric acid
    • CHEBI:35932
    • DTXSID50862670
    • 2-keto-3-methylvaleric acid
    • alpha-oxo-beta-methylvaleric acid
    • alpha-oxo-beta-methyl-n-valeric acid
    • KMVA
    • RefChem:503701
    • DTXCID30203608
    • FEMA NO. 3870, ACID-(A+-)-
    • 215-955-0
    • 254-616-1
    • 3-Methyl-2-oxopentanoic acid
    • ketoisoleucine
    • MFCD00002582
    • 39748-49-7
    • Pentanoic acid, 3-methyl-2-oxo-
    • 2-Oxo-3-methylvalerate
    • 3-Methyl-2-oxovaleric
    • 2-oxokolavenic acid
    • UNII-787T50HCIV
    • (1)-3-Methyl-2-oxovaleric acid
    • EINECS 215-955-0
    • EINECS 254-616-1
    • (+/-)-3-methyl-2-oxovaleric acid
    • C03465
    • 3-Methyl-2-oxopentanoicacid
    • SCHEMBL43232
    • 2-keto-3-methyl-valeric acid
    • orb1299080
    • SCHEMBL9227955
    • DL-3-METHYL-2-OXOPENTANOATE
    • EBC-48044
    • MSK70023-1000AW
    • (+/-)-3-methyl-2-oxopentanoic acid
    • AKOS006220526
    • DL-3-METHYL-2-OXOVALERIC ACID
    • HY-113063R
    • 3-Methyl-2-oxovaleric acid (Standard)
    • VALERIC ACID, 3-METHYL-2-OXO-
    • DL-3-ETHYL-3-METHYLPYRUVIC ACID
    • DL-3-METHYL-2-OXOPENTANOIC ACID
    • 3-METHYL-2-OXOVALERIC ACID, DL-
    • AS-58809
    • DL-3-METHYL-2-OXO PENTANOIC ACID
    • FM157432
    • SY058109
    • 3-Methyl-2-oxopentanoic acid, AldrichCPR
    • DB-304731
    • HY-113063
    • 3-METHYL-2-OXOPENTANOIC ACID [FHFI]
    • CS-0059473
    • K0020
    • NS00014564
    • .ALPHA.-OXO-.BETA.-METHYLVALERIC ACID
    • FEMA NO. 3870, ACID-(+/-)-
    • .ALPHA.-KETO-.BETA.-METHYLVALERIC ACID
    • F16679
    • 3-METHYL-2-OXOPENTANOIC ACID, (+/-)-
    • EN300-1852217
    • .ALPHA.-KETO-.BETA.-METHYL-N-VALERIC ACID
    • .ALPHA.-OXO-.BETA.-METHYL-N-VALERIC ACID
    • Q23905808
    • Z1205493610
    • 3-Methyl-2-oxovaleric acid Solution in Acetonitrile/Water, 1000ug/mL
    • 1460-34-0

  • Applications

    alpha-Keto-beta-methylvaleric acid (CAS 1460-34-0) is typically used as an intermediate and building block in organic synthesis, with applications in pharmaceutical and fine-chemical manufacturing. It serves as a precursor for chiral amino acid derivatives and related beta-methylvaleric acid–type building blocks, enabling routes to active pharmaceutical ingredients and agrochemical candidates. The compound can function as a substrate or starting material in enzymatic transamination and other biocatalytic processes used in drug development. It is also encountered as a reactive intermediate in polymer and coating formulations where controlled reactivity is required, and may be used in research and development as a reagent for metabolism and enzyme specificity studies. Overall, its applications are largely confined to synthesis, catalysis, and process development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 248.38
    methanol 355.83
    isopropanol 228.26
    water 19.98
    ethyl acetate 75.74
    n-propanol 183.98
    acetone 111.64
    n-butanol 124.04
    acetonitrile 84.46
    DMF 335.65
    toluene 17.37
    isobutanol 136.82
    1,4-dioxane 261.53
    methyl acetate 148.92
    THF 233.0
    2-butanone 120.38
    n-pentanol 116.33
    sec-butanol 189.98
    n-hexane 7.98
    ethylene glycol 196.13
    NMP 356.1
    cyclohexane 7.68
    DMSO 525.82
    n-butyl acetate 73.08
    n-octanol 81.6
    chloroform 95.19
    n-propyl acetate 47.05
    acetic acid 208.49
    dichloromethane 93.28
    cyclohexanone 150.39
    propylene glycol 178.73
    isopropyl acetate 50.67
    DMAc 243.87
    2-ethoxyethanol 227.68
    isopentanol 110.11
    n-heptane 5.72
    ethyl formate 75.23
    1,2-dichloroethane 102.43
    n-hexanol 149.98
    2-methoxyethanol 340.89
    isobutyl acetate 30.03
    tetrachloromethane 21.99
    n-pentyl acetate 66.29
    transcutol 390.08
    n-heptanol 96.51
    ethylbenzene 23.41
    MIBK 63.32
    2-propoxyethanol 256.75
    tert-butanol 263.85
    MTBE 116.11
    2-butoxyethanol 172.57
    propionic acid 186.98
    o-xylene 31.24
    formic acid 206.26
    diethyl ether 64.05
    m-xylene 25.38
    p-xylene 28.64
    chlorobenzene 48.67
    dimethyl carbonate 34.43
    n-octane 5.19
    formamide 217.26
    cyclopentanone 179.5
    2-pentanone 76.38
    anisole 56.54
    cyclopentyl methyl ether 80.72
    gamma-butyrolactone 262.53
    1-methoxy-2-propanol 257.18
    pyridine 87.56
    3-pentanone 56.7
    furfural 212.26
    n-dodecane 4.96
    diethylene glycol 272.66
    diisopropyl ether 26.01
    tert-amyl alcohol 233.75
    acetylacetone 90.79
    n-hexadecane 5.5
    acetophenone 63.87
    methyl propionate 85.29
    isopentyl acetate 77.92
    trichloroethylene 172.11
    n-nonanol 69.47
    cyclohexanol 109.11
    benzyl alcohol 78.63
    2-ethylhexanol 71.33
    isooctanol 76.83
    dipropyl ether 31.6
    1,2-dichlorobenzene 62.98
    ethyl lactate 54.64
    propylene carbonate 117.56
    n-methylformamide 203.86
    2-pentanol 100.7
    n-pentane 6.16
    1-propoxy-2-propanol 162.73
    1-methoxy-2-propyl acetate 92.55
    2-(2-methoxypropoxy) propanol 125.64
    mesitylene 22.7
    ε-caprolactone 151.51
    p-cymene 25.08
    epichlorohydrin 237.18
    1,1,1-trichloroethane 64.22
    2-aminoethanol 241.95
    morpholine-4-carbaldehyde 282.95
    sulfolane 466.41
    2,2,4-trimethylpentane 8.52
    2-methyltetrahydrofuran 170.39
    n-hexyl acetate 100.22
    isooctane 7.1
    2-(2-butoxyethoxy)ethanol 205.3
    sec-butyl acetate 35.14
    tert-butyl acetate 72.5
    decalin 8.82
    glycerin 227.41
    diglyme 263.81
    acrylic acid 171.49
    isopropyl myristate 37.57
    n-butyric acid 133.73
    acetyl acetate 40.8
    di(2-ethylhexyl) phthalate 47.78
    ethyl propionate 40.37
    nitromethane 248.94
    1,2-diethoxyethane 85.08
    benzonitrile 64.98
    trioctyl phosphate 43.96
    1-bromopropane 42.94
    gamma-valerolactone 259.65
    n-decanol 54.07
    triethyl phosphate 30.27
    4-methyl-2-pentanol 66.39
    propionitrile 63.99
    vinylene carbonate 102.85
    1,1,2-trichlorotrifluoroethane 213.47
    DMS 68.77
    cumene 24.22
    2-octanol 67.9
    2-hexanone 56.76
    octyl acetate 57.57
    limonene 34.6
    1,2-dimethoxyethane 201.16
    ethyl orthosilicate 29.23
    tributyl phosphate 39.63
    diacetone alcohol 159.08
    N,N-dimethylaniline 50.29
    acrylonitrile 100.38
    aniline 52.99
    1,3-propanediol 239.7
    bromobenzene 35.98
    dibromomethane 62.28
    1,1,2,2-tetrachloroethane 166.14
    2-methyl-cyclohexyl acetate 52.22
    tetrabutyl urea 54.24
    diisobutyl methanol 44.41
    2-phenylethanol 97.19
    styrene 22.57
    dioctyl adipate 50.45
    dimethyl sulfate 90.86
    ethyl butyrate 41.02
    methyl lactate 89.58
    butyl lactate 73.05
    diethyl carbonate 28.74
    propanediol butyl ether 170.17
    triethyl orthoformate 34.24
    p-tert-butyltoluene 26.29
    methyl 4-tert-butylbenzoate 95.86
    morpholine 269.61
    tert-butylamine 116.29
    n-dodecanol 41.11
    dimethoxymethane 124.36
    ethylene carbonate 80.53
    cyrene 121.12
    2-ethoxyethyl acetate 94.02
    2-ethylhexyl acetate 54.02
    1,2,4-trichlorobenzene 78.55
    4-methylpyridine 76.41
    dibutyl ether 34.37
    2,6-dimethyl-4-heptanol 44.41
    DEF 117.9
    dimethyl isosorbide 173.71
    tetrachloroethylene 118.59
    eugenol 114.77
    triacetin 72.99
    span 80 123.32
    1,4-butanediol 150.05
    1,1-dichloroethane 72.05
    2-methyl-1-pentanol 101.89
    methyl formate 142.87
    2-methyl-1-butanol 110.05
    n-decane 7.13
    butyronitrile 56.96
    3,7-dimethyl-1-octanol 68.4
    1-chlorooctane 33.39
    1-chlorotetradecane 14.45
    n-nonane 6.76
    undecane 5.86
    tert-butylcyclohexane 9.55
    cyclooctane 3.88
    cyclopentanol 156.15
    tetrahydropyran 123.66
    tert-amyl methyl ether 90.38
    2,5,8-trioxanonane 198.64
    1-hexene 23.95
    2-isopropoxyethanol 151.42
    2,2,2-trifluoroethanol 100.2
    methyl butyrate 61.29

    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