Propyl pyruvate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20279-43-0

    Molecular formula
    C6H10O3

    SMILES
    CCCOC(=O)C(=O)C

  • Odor profile

    Fragrance
    Fruity 87.18%
    Sweet 86.95%
    Caramellic 84.88%
    Rummy 48.45%
    Ethereal 46.58%
    Winey 46.14%
    Buttery 45.4%
    Burnt 43.6%
    Creamy 42.86%
    Floral 42.78%

     

    Flavor
    Fruity 57.96%
    Sweet 48.46%
    Caramel 46.63%
    Creamy 46.62%
    Buttery 40.45%
    Butter 39.81%
    Oily 31.01%
    Cheese 30.24%
    Fatty 29.58%
    Pungent 28.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.09 (neutral)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 46.06 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Propyl pyruvate
    • propyl 2-oxopropanoate
    • 20279-43-0
    • Propanoic acid, 2-oxo-, propyl ester
    • Propyl 2-oxopropionate
    • Pyruvic acid, propyl ester
    • FEMA No. 4484
    • UNII-78735J3F50
    • 78735J3F50
    • DTXSID50174129
    • n-propyl pyruvate
    • SCHEMBL106813
    • DTXCID7096620
    • G63189
    • Q27266644

  • Applications

    Propyl pyruvate is a versatile building block in organic synthesis. It serves as an intermediate in the production of pharmaceuticals and fine chemicals, enabling derivatization to pyruvate-derived compounds. In the fragrance and flavor industry, it is considered a fragrance intermediate or precursor. In polymer and plastics chemistry, it is used as a building block for functional polymers and copolymers. It may also appear in cosmetic and personal care formulations as a fragrance component or reactive intermediate, subject to formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 817.26
    methanol 1270.34
    isopropanol 618.26
    water 10.58
    ethyl acetate 490.48
    n-propanol 580.43
    acetone 980.64
    n-butanol 585.63
    acetonitrile 818.42
    DMF 1392.31
    toluene 244.85
    isobutanol 448.9
    1,4-dioxane 920.36
    methyl acetate 638.54
    THF 832.49
    2-butanone 679.85
    n-pentanol 492.64
    sec-butanol 583.46
    n-hexane 60.9
    ethylene glycol 269.64
    NMP 1174.78
    cyclohexane 116.07
    DMSO 1318.0
    n-butyl acetate 581.81
    n-octanol 307.96
    chloroform 1367.5
    n-propyl acetate 420.96
    acetic acid 1233.98
    dichloromethane 1745.36
    cyclohexanone 878.38
    propylene glycol 249.84
    isopropyl acetate 287.78
    DMAc 1157.81
    2-ethoxyethanol 716.13
    isopentanol 479.95
    n-heptane 52.68
    ethyl formate 677.28
    1,2-dichloroethane 945.17
    n-hexanol 400.13
    2-methoxyethanol 1047.57
    isobutyl acetate 216.49
    tetrachloromethane 189.45
    n-pentyl acetate 353.82
    transcutol 1270.67
    n-heptanol 240.3
    ethylbenzene 222.15
    MIBK 284.05
    2-propoxyethanol 607.86
    tert-butanol 681.62
    MTBE 483.94
    2-butoxyethanol 416.5
    propionic acid 563.45
    o-xylene 257.25
    formic acid 626.88
    diethyl ether 374.67
    m-xylene 195.17
    p-xylene 339.09
    chlorobenzene 502.29
    dimethyl carbonate 226.03
    n-octane 35.31
    formamide 779.31
    cyclopentanone 869.42
    2-pentanone 480.66
    anisole 448.04
    cyclopentyl methyl ether 358.62
    gamma-butyrolactone 1057.34
    1-methoxy-2-propanol 605.67
    pyridine 832.45
    3-pentanone 369.49
    furfural 1346.34
    n-dodecane 36.14
    diethylene glycol 515.69
    diisopropyl ether 113.4
    tert-amyl alcohol 644.28
    acetylacetone 557.81
    n-hexadecane 40.02
    acetophenone 510.53
    methyl propionate 414.89
    isopentyl acetate 475.04
    trichloroethylene 1754.52
    n-nonanol 248.75
    cyclohexanol 510.43
    benzyl alcohol 461.13
    2-ethylhexanol 285.38
    isooctanol 188.14
    dipropyl ether 238.53
    1,2-dichlorobenzene 546.59
    ethyl lactate 236.4
    propylene carbonate 660.36
    n-methylformamide 867.96
    2-pentanol 369.6
    n-pentane 66.06
    1-propoxy-2-propanol 418.21
    1-methoxy-2-propyl acetate 383.5
    2-(2-methoxypropoxy) propanol 400.07
    mesitylene 141.63
    ε-caprolactone 764.56
    p-cymene 171.57
    epichlorohydrin 1135.9
    1,1,1-trichloroethane 702.48
    2-aminoethanol 409.99
    morpholine-4-carbaldehyde 1026.25
    sulfolane 1196.64
    2,2,4-trimethylpentane 48.45
    2-methyltetrahydrofuran 663.64
    n-hexyl acetate 520.12
    isooctane 29.51
    2-(2-butoxyethoxy)ethanol 524.02
    sec-butyl acetate 234.23
    tert-butyl acetate 307.17
    decalin 67.86
    glycerin 350.86
    diglyme 959.43
    acrylic acid 634.21
    isopropyl myristate 177.71
    n-butyric acid 668.41
    acetyl acetate 332.38
    di(2-ethylhexyl) phthalate 197.16
    ethyl propionate 325.07
    nitromethane 1604.29
    1,2-diethoxyethane 484.51
    benzonitrile 691.73
    trioctyl phosphate 160.86
    1-bromopropane 473.83
    gamma-valerolactone 1163.89
    n-decanol 186.18
    triethyl phosphate 187.93
    4-methyl-2-pentanol 199.06
    propionitrile 546.8
    vinylene carbonate 729.39
    1,1,2-trichlorotrifluoroethane 858.03
    DMS 360.67
    cumene 167.25
    2-octanol 200.78
    2-hexanone 439.68
    octyl acetate 262.16
    limonene 248.49
    1,2-dimethoxyethane 1092.25
    ethyl orthosilicate 167.41
    tributyl phosphate 196.03
    diacetone alcohol 402.94
    N,N-dimethylaniline 332.34
    acrylonitrile 815.76
    aniline 374.67
    1,3-propanediol 577.71
    bromobenzene 493.63
    dibromomethane 1034.92
    1,1,2,2-tetrachloroethane 1284.25
    2-methyl-cyclohexyl acetate 294.18
    tetrabutyl urea 263.96
    diisobutyl methanol 162.0
    2-phenylethanol 375.16
    styrene 291.88
    dioctyl adipate 283.5
    dimethyl sulfate 364.67
    ethyl butyrate 386.42
    methyl lactate 263.15
    butyl lactate 287.46
    diethyl carbonate 297.44
    propanediol butyl ether 411.25
    triethyl orthoformate 243.99
    p-tert-butyltoluene 153.9
    methyl 4-tert-butylbenzoate 362.79
    morpholine 931.92
    tert-butylamine 445.56
    n-dodecanol 146.39
    dimethoxymethane 595.98
    ethylene carbonate 528.66
    cyrene 343.85
    2-ethoxyethyl acetate 408.15
    2-ethylhexyl acetate 365.12
    1,2,4-trichlorobenzene 605.57
    4-methylpyridine 852.14
    dibutyl ether 285.78
    2,6-dimethyl-4-heptanol 162.0
    DEF 709.41
    dimethyl isosorbide 536.35
    tetrachloroethylene 873.99
    eugenol 386.29
    triacetin 419.95
    span 80 342.01
    1,4-butanediol 326.39
    1,1-dichloroethane 825.73
    2-methyl-1-pentanol 440.3
    methyl formate 741.88
    2-methyl-1-butanol 475.08
    n-decane 52.45
    butyronitrile 644.04
    3,7-dimethyl-1-octanol 270.43
    1-chlorooctane 195.85
    1-chlorotetradecane 88.16
    n-nonane 51.79
    undecane 42.11
    tert-butylcyclohexane 59.78
    cyclooctane 35.87
    cyclopentanol 517.17
    tetrahydropyran 680.31
    tert-amyl methyl ether 397.36
    2,5,8-trioxanonane 655.21
    1-hexene 225.03
    2-isopropoxyethanol 436.64
    2,2,2-trifluoroethanol 350.33
    methyl butyrate 550.44

    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