Trimethylpyruvic acid

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  • Identifiers

    CAS number
    815-17-8

    Molecular formula
    C6H10O3

    SMILES
    CC(C)(C)C(=O)C(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 60.08%
    Sour 42.11%
    Cheesy 33.78%
    Caramellic 33.0%
    Creamy 31.92%
    Buttery 29.2%
    Sweet 28.07%
    Herbal 26.2%
    Fatty 25.26%
    Pungent 24.24%

     

    Flavor
    Fruity 67.65%
    Sweet 51.22%
    Creamy 34.48%
    Berry 31.89%
    Caramel 26.87%
    Butter 26.04%
    Dry 25.55%
    Buttery 24.53%
    Musty 24.36%
    Sharp 23.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.69 (neutral)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 88.94 ˚C est.

  • Synonyms

    • 3,3-Dimethyl-2-oxobutyric acid
    • 3,3-Dimethyl-2-oxobutanoic acid
    • TRIMETHYLPYRUVIC ACID
    • Butanoic acid, 3,3-dimethyl-2-oxo-
    • Pyruvic acid, trimethyl-
    • Glyoxylic acid, tert-butyl-
    • UNII-29CL615CLH
    • Butyric acid, 3,3-dimethyl-2-oxo-
    • NSC-16648
    • 29CL615CLH
    • DTXSID9027314
    • 2-oxo-3,3-dimethylbutyric acid
    • HSDB 5757
    • trimethylpyroracemic acid
    • EINECS 212-418-2
    • NSC 16648
    • AI3-11509
    • DTXCID207314
    • 2-oxo-3,3-dimethylbutanoic acid
    • CHEBI:180663
    • beta,beta-dimethyl-alpha-oxo-butyric acid
    • tertButylglyoxylic acid
    • Pyruvic acid, trimethyl
    • Glyoxylic acid, tertbutyl
    • RefChem:191807
    • 3,3Dimethyl2oxobutyric acid
    • 3,3Dimethyl2oxobutanoic acid
    • Butyric acid, 3,3dimethyl2oxo
    • Butanoic acid, 3,3dimethyl2oxo
    • 815-17-8
    • MFCD00154352
    • tert-Butylglyoxylic acid
    • 3,3-Dimethyl-2-oxo-butanoic acid
    • Trimethylbrenztraubensaure
    • SCHEMBL271740
    • RARECHEM AL BO 2323
    • 3,3-Dimethyl-2-oxobutanoicacid
    • CHEMBL3182620
    • Butyric acid,3-dimethyl-2-oxo-
    • Trimethylpyruvic acid, AldrichCPR
    • Butanoic acid,3-dimethyl-2-oxo-
    • 3,3-dimethyl-2-oxo butyric acid
    • AAA81517
    • NSC16648
    • Tox21_301454
    • BBL101707
    • SBB065803
    • SC1212
    • STL555503
    • AKOS006223638
    • CS-W005305
    • FT60564
    • NCGC00255112-01
    • AS-54581
    • CAS-815-17-8
    • D3609
    • NS00038131
    • EN300-76124
    • F224648
    • Q27254409
    • Trimethylpyruvic acid 3,3-Dimethyl-2-oxobutanoic acid
    • Z1187714783
    • 815-17-8

  • Applications

    Trimethylpyruvic acid (CAS 815-17-8) is primarily used as an intermediate in organic synthesis, providing a building block for accessing pyruvate-derived and related beta-dicarbonyl compounds. In industry it is commonly evaluated for pharmaceutical synthesis as a synthetic building block, in fragrance and flavor chemistry as a precursor to aroma-active compounds, and in cosmetics/personal care as a precursor for fragrance ingredients. It can also function as a reactive intermediate in coatings and inks for specialty formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.75
    methanol 359.8
    isopropanol 94.09
    water 25.23
    ethyl acetate 77.78
    n-propanol 126.7
    acetone 78.14
    n-butanol 94.67
    acetonitrile 61.28
    DMF 116.62
    toluene 11.61
    isobutanol 65.51
    1,4-dioxane 124.18
    methyl acetate 81.0
    THF 212.4
    2-butanone 65.77
    n-pentanol 54.14
    sec-butanol 85.66
    n-hexane 7.64
    ethylene glycol 135.32
    NMP 280.86
    cyclohexane 5.44
    DMSO 184.91
    n-butyl acetate 73.3
    n-octanol 64.41
    chloroform 89.71
    n-propyl acetate 43.28
    acetic acid 382.33
    dichloromethane 76.9
    cyclohexanone 97.7
    propylene glycol 129.61
    isopropyl acetate 42.08
    DMAc 100.89
    2-ethoxyethanol 136.64
    isopentanol 57.37
    n-heptane 9.59
    ethyl formate 75.48
    1,2-dichloroethane 58.31
    n-hexanol 112.89
    2-methoxyethanol 282.47
    isobutyl acetate 22.98
    tetrachloromethane 19.31
    n-pentyl acetate 50.75
    transcutol 274.19
    n-heptanol 67.94
    ethylbenzene 11.79
    MIBK 42.69
    2-propoxyethanol 203.81
    tert-butanol 104.34
    MTBE 38.81
    2-butoxyethanol 113.95
    propionic acid 179.84
    o-xylene 14.42
    formic acid 353.58
    diethyl ether 42.89
    m-xylene 15.2
    p-xylene 13.52
    chlorobenzene 29.96
    dimethyl carbonate 35.65
    n-octane 4.85
    formamide 252.33
    cyclopentanone 148.06
    2-pentanone 60.24
    anisole 35.06
    cyclopentyl methyl ether 78.63
    gamma-butyrolactone 267.2
    1-methoxy-2-propanol 191.31
    pyridine 58.75
    3-pentanone 41.74
    furfural 189.98
    n-dodecane 4.14
    diethylene glycol 192.7
    diisopropyl ether 17.11
    tert-amyl alcohol 95.86
    acetylacetone 75.14
    n-hexadecane 4.36
    acetophenone 48.86
    methyl propionate 75.55
    isopentyl acetate 59.89
    trichloroethylene 114.87
    n-nonanol 56.91
    cyclohexanol 73.32
    benzyl alcohol 45.53
    2-ethylhexanol 58.14
    isooctanol 49.23
    dipropyl ether 37.32
    1,2-dichlorobenzene 40.68
    ethyl lactate 54.22
    propylene carbonate 154.32
    n-methylformamide 145.23
    2-pentanol 60.31
    n-pentane 7.41
    1-propoxy-2-propanol 137.91
    1-methoxy-2-propyl acetate 96.22
    2-(2-methoxypropoxy) propanol 97.03
    mesitylene 12.3
    ε-caprolactone 135.1
    p-cymene 21.29
    epichlorohydrin 171.73
    1,1,1-trichloroethane 42.22
    2-aminoethanol 176.5
    morpholine-4-carbaldehyde 203.26
    sulfolane 331.74
    2,2,4-trimethylpentane 6.54
    2-methyltetrahydrofuran 130.54
    n-hexyl acetate 85.36
    isooctane 5.67
    2-(2-butoxyethoxy)ethanol 146.15
    sec-butyl acetate 27.41
    tert-butyl acetate 65.39
    decalin 5.78
    glycerin 186.71
    diglyme 176.89
    acrylic acid 182.15
    isopropyl myristate 33.0
    n-butyric acid 145.52
    acetyl acetate 47.92
    di(2-ethylhexyl) phthalate 42.92
    ethyl propionate 42.45
    nitromethane 294.83
    1,2-diethoxyethane 57.01
    benzonitrile 37.69
    trioctyl phosphate 36.65
    1-bromopropane 29.79
    gamma-valerolactone 219.87
    n-decanol 42.9
    triethyl phosphate 33.13
    4-methyl-2-pentanol 40.35
    propionitrile 43.46
    vinylene carbonate 115.64
    1,1,2-trichlorotrifluoroethane 178.69
    DMS 64.69
    cumene 13.34
    2-octanol 43.66
    2-hexanone 38.44
    octyl acetate 49.43
    limonene 30.96
    1,2-dimethoxyethane 104.99
    ethyl orthosilicate 30.28
    tributyl phosphate 38.29
    diacetone alcohol 128.28
    N,N-dimethylaniline 31.99
    acrylonitrile 61.11
    aniline 36.89
    1,3-propanediol 177.84
    bromobenzene 21.72
    dibromomethane 53.99
    1,1,2,2-tetrachloroethane 107.31
    2-methyl-cyclohexyl acetate 55.3
    tetrabutyl urea 47.5
    diisobutyl methanol 36.41
    2-phenylethanol 73.35
    styrene 11.1
    dioctyl adipate 46.12
    dimethyl sulfate 77.83
    ethyl butyrate 48.31
    methyl lactate 83.44
    butyl lactate 67.29
    diethyl carbonate 33.87
    propanediol butyl ether 122.26
    triethyl orthoformate 36.42
    p-tert-butyltoluene 23.26
    methyl 4-tert-butylbenzoate 86.78
    morpholine 161.72
    tert-butylamine 54.98
    n-dodecanol 31.2
    dimethoxymethane 93.46
    ethylene carbonate 83.07
    cyrene 110.03
    2-ethoxyethyl acetate 73.24
    2-ethylhexyl acetate 47.07
    1,2,4-trichlorobenzene 54.25
    4-methylpyridine 45.58
    dibutyl ether 27.49
    2,6-dimethyl-4-heptanol 36.41
    DEF 68.65
    dimethyl isosorbide 171.06
    tetrachloroethylene 84.88
    eugenol 83.94
    triacetin 77.58
    span 80 106.09
    1,4-butanediol 73.9
    1,1-dichloroethane 41.81
    2-methyl-1-pentanol 41.49
    methyl formate 116.97
    2-methyl-1-butanol 59.46
    n-decane 6.46
    butyronitrile 42.5
    3,7-dimethyl-1-octanol 50.17
    1-chlorooctane 27.55
    1-chlorotetradecane 11.14
    n-nonane 6.3
    undecane 5.09
    tert-butylcyclohexane 7.3
    cyclooctane 3.29
    cyclopentanol 109.53
    tetrahydropyran 72.61
    tert-amyl methyl ether 43.57
    2,5,8-trioxanonane 135.11
    1-hexene 16.82
    2-isopropoxyethanol 76.99
    2,2,2-trifluoroethanol 148.8
    methyl butyrate 53.38

    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