Phenethyl pyruvate

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  • Identifiers

    CAS number
    20279-47-4

    Molecular formula
    C11H12O3

    SMILES
    CC(=O)C(=O)OCCC1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Sweet 78.1%
    Fruity 59.35%
    Floral 58.07%
    Caramellic 56.17%
    Honey 55.74%
    Balsamic 54.02%
    Spicy 46.97%
    Rose 40.91%
    Green 40.02%
    Powdery 33.73%

     

    Flavor
    Fruity 52.53%
    Sweet 52.26%
    Floral 49.47%
    Balsam 48.77%
    Honey 38.81%
    Rose 37.95%
    Strawberry 34.07%
    Chocolate 27.7%
    Oily 27.4%
    Creamy 26.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.49 (neutral)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    306°C

    Flash point

    • 131.64 ˚C est.

  • Synonyms

    • Phenethyl pyruvate
    • 20279-47-4
    • EINECS 243-674-3
    • 2-PHENYLETHYL 2-OXOPROPANOATE
    • SCHEMBL14468428
    • DTXSID60174130
    • WSPONQFEXIMYFZ-UHFFFAOYSA-N
    • DB-119977
    • NS00026567
    • 20279-47-4

  • Applications

    Phenethyl pyruvate (CAS 20279-47-4) is primarily used as an intermediate in organic synthesis, enabling access to pyruvate-containing scaffolds and related derivatives. In perfumery and cosmetics, it may serve as a specialty ester or odorant precursor linked to the phenethyl fragment, and is considered for specialized personal care formulations. It can also be regarded as a functional ester intermediate for coatings, paints and plastics, enabling linking or post-polymerization modification. In industrial manufacturing, it provides a versatile precursor for synthetic routes to complex organic molecules and pharmaceutical intermediates, subject to formulation constraints and regulatory limits. Overall, applications are centered on synthesis and formulation contexts rather than bulk commodity use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.35
    methanol 161.81
    isopropanol 46.0
    water 0.51
    ethyl acetate 231.86
    n-propanol 58.24
    acetone 308.6
    n-butanol 54.36
    acetonitrile 175.91
    DMF 726.96
    toluene 70.64
    isobutanol 40.61
    1,4-dioxane 299.01
    methyl acetate 210.63
    THF 311.11
    2-butanone 214.44
    n-pentanol 57.45
    sec-butanol 53.18
    n-hexane 4.73
    ethylene glycol 48.37
    NMP 428.99
    cyclohexane 4.19
    DMSO 896.54
    n-butyl acetate 132.98
    n-octanol 18.4
    chloroform 503.04
    n-propyl acetate 140.48
    acetic acid 269.38
    dichloromethane 590.97
    cyclohexanone 241.95
    propylene glycol 36.34
    isopropyl acetate 126.2
    DMAc 585.25
    2-ethoxyethanol 225.38
    isopentanol 65.94
    n-heptane 2.43
    ethyl formate 100.72
    1,2-dichloroethane 560.05
    n-hexanol 51.75
    2-methoxyethanol 305.5
    isobutyl acetate 76.0
    tetrachloromethane 31.39
    n-pentyl acetate 55.7
    transcutol 1238.92
    n-heptanol 22.61
    ethylbenzene 49.88
    MIBK 119.49
    2-propoxyethanol 169.24
    tert-butanol 118.6
    MTBE 136.3
    2-butoxyethanol 82.34
    propionic acid 129.89
    o-xylene 61.03
    formic acid 172.86
    diethyl ether 145.78
    m-xylene 52.52
    p-xylene 55.23
    chlorobenzene 143.96
    dimethyl carbonate 148.09
    n-octane 1.31
    formamide 437.88
    cyclopentanone 348.65
    2-pentanone 174.7
    anisole 179.35
    cyclopentyl methyl ether 144.75
    gamma-butyrolactone 453.52
    1-methoxy-2-propanol 197.89
    pyridine 228.61
    3-pentanone 158.94
    furfural 410.56
    n-dodecane 1.29
    diethylene glycol 190.32
    diisopropyl ether 37.99
    tert-amyl alcohol 110.63
    acetylacetone 331.95
    n-hexadecane 1.57
    acetophenone 167.98
    methyl propionate 212.45
    isopentyl acetate 116.06
    trichloroethylene 935.93
    n-nonanol 19.02
    cyclohexanol 56.9
    benzyl alcohol 106.72
    2-ethylhexanol 35.99
    isooctanol 21.78
    dipropyl ether 48.67
    1,2-dichlorobenzene 166.55
    ethyl lactate 76.27
    propylene carbonate 195.07
    n-methylformamide 277.95
    2-pentanol 44.44
    n-pentane 2.81
    1-propoxy-2-propanol 108.2
    1-methoxy-2-propyl acetate 177.77
    2-(2-methoxypropoxy) propanol 153.96
    mesitylene 33.63
    ε-caprolactone 218.1
    p-cymene 26.52
    epichlorohydrin 613.68
    1,1,1-trichloroethane 251.7
    2-aminoethanol 77.13
    morpholine-4-carbaldehyde 478.57
    sulfolane 648.47
    2,2,4-trimethylpentane 4.94
    2-methyltetrahydrofuran 189.66
    n-hexyl acetate 78.62
    isooctane 3.6
    2-(2-butoxyethoxy)ethanol 201.58
    sec-butyl acetate 96.5
    tert-butyl acetate 172.59
    decalin 7.95
    glycerin 102.99
    diglyme 450.39
    acrylic acid 164.05
    isopropyl myristate 32.73
    n-butyric acid 132.75
    acetyl acetate 176.39
    di(2-ethylhexyl) phthalate 40.85
    ethyl propionate 136.14
    nitromethane 804.24
    1,2-diethoxyethane 225.74
    benzonitrile 118.91
    trioctyl phosphate 23.99
    1-bromopropane 135.75
    gamma-valerolactone 426.8
    n-decanol 14.69
    triethyl phosphate 62.16
    4-methyl-2-pentanol 37.95
    propionitrile 107.18
    vinylene carbonate 197.52
    1,1,2-trichlorotrifluoroethane 378.74
    DMS 154.89
    cumene 33.58
    2-octanol 15.0
    2-hexanone 129.49
    octyl acetate 40.34
    limonene 36.97
    1,2-dimethoxyethane 344.58
    ethyl orthosilicate 54.63
    tributyl phosphate 40.48
    diacetone alcohol 200.59
    N,N-dimethylaniline 109.8
    acrylonitrile 199.91
    aniline 115.88
    1,3-propanediol 98.55
    bromobenzene 138.2
    dibromomethane 310.93
    1,1,2,2-tetrachloroethane 703.7
    2-methyl-cyclohexyl acetate 83.07
    tetrabutyl urea 55.27
    diisobutyl methanol 26.78
    2-phenylethanol 86.01
    styrene 73.27
    dioctyl adipate 67.65
    dimethyl sulfate 309.18
    ethyl butyrate 101.99
    methyl lactate 116.49
    butyl lactate 59.21
    diethyl carbonate 82.65
    propanediol butyl ether 89.19
    triethyl orthoformate 71.31
    p-tert-butyltoluene 26.18
    methyl 4-tert-butylbenzoate 111.33
    morpholine 308.21
    tert-butylamine 57.24
    n-dodecanol 11.46
    dimethoxymethane 332.34
    ethylene carbonate 144.08
    cyrene 144.54
    2-ethoxyethyl acetate 136.19
    2-ethylhexyl acetate 87.44
    1,2,4-trichlorobenzene 199.19
    4-methylpyridine 201.17
    dibutyl ether 43.63
    2,6-dimethyl-4-heptanol 26.78
    DEF 272.37
    dimethyl isosorbide 263.96
    tetrachloroethylene 390.19
    eugenol 110.8
    triacetin 138.11
    span 80 89.36
    1,4-butanediol 50.26
    1,1-dichloroethane 303.75
    2-methyl-1-pentanol 71.31
    methyl formate 208.25
    2-methyl-1-butanol 58.76
    n-decane 2.01
    butyronitrile 75.47
    3,7-dimethyl-1-octanol 29.9
    1-chlorooctane 14.54
    1-chlorotetradecane 6.75
    n-nonane 1.77
    undecane 1.58
    tert-butylcyclohexane 7.38
    cyclooctane 2.0
    cyclopentanol 55.4
    tetrahydropyran 161.32
    tert-amyl methyl ether 119.78
    2,5,8-trioxanonane 310.25
    1-hexene 29.46
    2-isopropoxyethanol 148.58
    2,2,2-trifluoroethanol 132.42
    methyl butyrate 170.87

    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