Isobutyl pyruvate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13051-48-4

    Molecular formula
    C7H12O3

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

  • Odor profile

    Fragrance
    Fruity 90.32%
    Sweet 84.01%
    Caramellic 79.19%
    Buttery 45.41%
    Winey 42.89%
    Rummy 42.8%
    Ethereal 42.19%
    Creamy 41.47%
    Floral 33.97%
    Nutty 31.5%

     

    Flavor
    Fruity 65.48%
    Sweet 63.8%
    Creamy 42.97%
    Caramel 37.98%
    Butter 32.81%
    Berry 32.11%
    Buttery 30.36%
    Tropical 28.14%
    Oily 26.69%
    Fatty 25.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.09 (neutral)

    Molecular weight
    144.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 56.21 ˚C est.

  • Synonyms

    • Isobutyl pyruvate
    • 2-methylpropyl 2-oxopropanoate
    • 13051-48-4
    • 34K76F7RR8
    • EINECS 235-929-2
    • Propanoic acid, 2-oxo-, 2-methylpropyl ester
    • DTXSID10156582
    • isobutyl 2-oxopropanoate
    • iso-butyl pyruvate
    • UNII-34K76F7RR8
    • SCHEMBL1373745
    • DTXCID8079073
    • NS00024110
    • 235-929-2

  • Applications

    Isobutyl pyruvate is principally used as an intermediate in organic synthesis, enabling the preparation of ester derivatives and other carbonyl-containing compounds. In perfumery and fragrance chemistry it may serve as a precursor to aroma compounds and help shape scent profiles; in cosmetics and personal care it can function as a fragrance ingredient or formulation solvent. It is also encountered in household products as part of fragrance systems or as a reactive intermediate in manufacturing formulations. In industrial manufacturing and polymer chemistry, it is employed as a building block for synthetic routes and as a small ester modifier in certain processes. Overall, uses are typically driven by its role as an esterified pyruvate feedstock for downstream syntheses, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 418.18
    methanol 508.82
    isopropanol 297.67
    water 4.88
    ethyl acetate 138.18
    n-propanol 290.1
    acetone 283.96
    n-butanol 302.49
    acetonitrile 192.35
    DMF 479.22
    toluene 82.82
    isobutanol 221.17
    1,4-dioxane 326.65
    methyl acetate 174.92
    THF 393.24
    2-butanone 226.47
    n-pentanol 213.33
    sec-butanol 272.86
    n-hexane 18.28
    ethylene glycol 123.18
    NMP 485.73
    cyclohexane 37.34
    DMSO 363.26
    n-butyl acetate 207.83
    n-octanol 137.92
    chloroform 506.92
    n-propyl acetate 117.4
    acetic acid 506.16
    dichloromethane 465.34
    cyclohexanone 348.36
    propylene glycol 158.66
    isopropyl acetate 92.77
    DMAc 401.84
    2-ethoxyethanol 258.46
    isopentanol 250.98
    n-heptane 20.11
    ethyl formate 210.91
    1,2-dichloroethane 247.88
    n-hexanol 223.59
    2-methoxyethanol 434.59
    isobutyl acetate 79.39
    tetrachloromethane 60.58
    n-pentyl acetate 117.99
    transcutol 484.9
    n-heptanol 123.74
    ethylbenzene 75.71
    MIBK 109.25
    2-propoxyethanol 275.55
    tert-butanol 339.4
    MTBE 185.13
    2-butoxyethanol 199.81
    propionic acid 226.86
    o-xylene 91.75
    formic acid 233.62
    diethyl ether 112.68
    m-xylene 72.99
    p-xylene 113.99
    chlorobenzene 152.8
    dimethyl carbonate 62.57
    n-octane 11.99
    formamide 248.44
    cyclopentanone 368.53
    2-pentanone 171.01
    anisole 162.8
    cyclopentyl methyl ether 142.73
    gamma-butyrolactone 398.36
    1-methoxy-2-propanol 280.78
    pyridine 275.71
    3-pentanone 105.77
    furfural 496.93
    n-dodecane 12.95
    diethylene glycol 241.62
    diisopropyl ether 38.33
    tert-amyl alcohol 304.13
    acetylacetone 179.1
    n-hexadecane 13.95
    acetophenone 189.65
    methyl propionate 122.04
    isopentyl acetate 198.52
    trichloroethylene 514.22
    n-nonanol 116.69
    cyclohexanol 243.31
    benzyl alcohol 185.33
    2-ethylhexanol 150.21
    isooctanol 95.82
    dipropyl ether 86.71
    1,2-dichlorobenzene 161.6
    ethyl lactate 92.81
    propylene carbonate 284.38
    n-methylformamide 269.77
    2-pentanol 174.59
    n-pentane 20.23
    1-propoxy-2-propanol 206.64
    1-methoxy-2-propyl acetate 156.91
    2-(2-methoxypropoxy) propanol 199.36
    mesitylene 52.57
    ε-caprolactone 322.73
    p-cymene 76.43
    epichlorohydrin 408.0
    1,1,1-trichloroethane 208.72
    2-aminoethanol 223.6
    morpholine-4-carbaldehyde 412.2
    sulfolane 458.22
    2,2,4-trimethylpentane 19.14
    2-methyltetrahydrofuran 306.26
    n-hexyl acetate 184.0
    isooctane 12.1
    2-(2-butoxyethoxy)ethanol 256.7
    sec-butyl acetate 79.71
    tert-butyl acetate 117.95
    decalin 27.22
    glycerin 193.81
    diglyme 382.05
    acrylic acid 234.67
    isopropyl myristate 73.63
    n-butyric acid 292.43
    acetyl acetate 101.56
    di(2-ethylhexyl) phthalate 102.78
    ethyl propionate 94.09
    nitromethane 441.4
    1,2-diethoxyethane 147.0
    benzonitrile 208.14
    trioctyl phosphate 76.71
    1-bromopropane 142.21
    gamma-valerolactone 476.19
    n-decanol 90.66
    triethyl phosphate 78.76
    4-methyl-2-pentanol 100.24
    propionitrile 164.57
    vinylene carbonate 271.12
    1,1,2-trichlorotrifluoroethane 366.64
    DMS 121.29
    cumene 66.76
    2-octanol 88.67
    2-hexanone 141.15
    octyl acetate 109.43
    limonene 114.68
    1,2-dimethoxyethane 361.59
    ethyl orthosilicate 73.69
    tributyl phosphate 83.76
    diacetone alcohol 205.19
    N,N-dimethylaniline 130.27
    acrylonitrile 213.57
    aniline 147.38
    1,3-propanediol 294.98
    bromobenzene 134.36
    dibromomethane 299.56
    1,1,2,2-tetrachloroethane 444.47
    2-methyl-cyclohexyl acetate 145.98
    tetrabutyl urea 117.68
    diisobutyl methanol 82.47
    2-phenylethanol 180.86
    styrene 85.93
    dioctyl adipate 131.41
    dimethyl sulfate 107.19
    ethyl butyrate 130.82
    methyl lactate 112.45
    butyl lactate 128.72
    diethyl carbonate 102.55
    propanediol butyl ether 226.29
    triethyl orthoformate 96.47
    p-tert-butyltoluene 73.28
    methyl 4-tert-butylbenzoate 176.2
    morpholine 387.93
    tert-butylamine 219.33
    n-dodecanol 69.99
    dimethoxymethane 185.61
    ethylene carbonate 196.44
    cyrene 200.38
    2-ethoxyethyl acetate 142.81
    2-ethylhexyl acetate 154.71
    1,2,4-trichlorobenzene 205.56
    4-methylpyridine 274.22
    dibutyl ether 91.9
    2,6-dimethyl-4-heptanol 82.47
    DEF 210.9
    dimethyl isosorbide 283.52
    tetrachloroethylene 273.04
    eugenol 185.67
    triacetin 166.18
    span 80 203.1
    1,4-butanediol 147.9
    1,1-dichloroethane 237.02
    2-methyl-1-pentanol 208.26
    methyl formate 214.13
    2-methyl-1-butanol 238.15
    n-decane 18.07
    butyronitrile 206.33
    3,7-dimethyl-1-octanol 134.65
    1-chlorooctane 73.09
    1-chlorotetradecane 33.95
    n-nonane 16.86
    undecane 14.88
    tert-butylcyclohexane 25.79
    cyclooctane 12.09
    cyclopentanol 257.64
    tetrahydropyran 261.32
    tert-amyl methyl ether 151.82
    2,5,8-trioxanonane 295.21
    1-hexene 68.78
    2-isopropoxyethanol 169.03
    2,2,2-trifluoroethanol 159.58
    methyl butyrate 167.49

    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