Pyruvaldehyde

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  • Identifiers

    CAS number
    78-98-8

    Molecular formula
    C3H4O2

    SMILES
    CC(=O)C=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 83.34%
    Caramellic 80.25%
    Pungent 66.2%
    Buttery 54.86%
    Sharp 52.43%
    Burnt 50.2%
    Ethereal 49.7%
    Creamy 44.39%
    Nutty 42.54%
    Rummy 41.41%

     

    Flavor
    Sweet 76.98%
    Pungent 52.06%
    Ethereal 48.26%
    Caramel 46.85%
    Creamy 44.42%
    Brown 44.26%
    Butter 41.16%
    Almond 39.19%
    Buttery 35.16%
    Acidic 34.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    5.94 (weak acid)

    Molecular weight
    72.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • < 25 °C

    Boiling point

    • 162 °F at 760 mmHg (NTP, 1992)
    • 72 °C at 760 mm Hg

    Flash point

    • 14.96 ˚C est.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 63 °F (NTP, 1992)
    • Soluble in water and alcohol, giving colorless solutions
    • Soluble in ethanol, ether, benzene
    • miscible with water and most solvents and oils (yellow solutions)
    • miscible (in ethanol)

  • Synonyms

    • methylglyoxal
    • pyruvaldehyde
    • 2-Oxopropanal
    • pyruvic aldehyde
    • 78-98-8
    • acetylformaldehyde
    • Acetylformyl
    • Propanal, 2-oxo-
    • 2-Ketopropionaldehyde
    • METHYL GLYOXAL
    • Propanedione
    • Propanolone
    • 2-Oxopropionaldehyde
    • Pyroracemic aldehyde
    • alpha-Ketopropionaldehyde
    • 1-Ketopropionaldehyde
    • Glyoxal, methyl
    • Propionaldehyde, 2-keto
    • Propionaldehyde, 2-oxo-
    • 1,2-Propanedione
    • Acetalformaldehyde
    • FEMA No. 2969
    • 2-oxo-Propionaldehyde
    • CH3COCHO
    • acetyl formaldehyde
    • .alpha.-Ketopropionaldehyde
    • alpha-Ketopropionic aldehyde
    • NSC 79019
    • pyruvicaldehyde
    • CCRIS 1741
    • methyl-glyoxal
    • NSC 626580
    • CHEBI:17158
    • 2-oxo-propanal
    • MFCD00006960
    • NSC-79019
    • METHYLGLYOXAL [MI]
    • 722KLD7415
    • NSC-626580
    • METHYLGLYOXAL [IARC]
    • PYRUVALDEHYDE [FHFI]
    • METHYLGLYOXAL [WHO-DD]
    • 2-oxopropanal, 40% in water
    • DTXSID0021628
    • Pyruvaldehyde, 40% aqueous solution
    • NSC626580
    • NSC-337790
    • Pyruvoyl Group
    • METHYLGLYOXAL (IARC)
    • oxopropanal
    • Pyruvaldehyde (35% w/w aqueous)
    • Aldehyde, Pyruvic
    • 51252-84-7
    • EINECS 201-164-8
    • NSC 337790
    • BRN 0906750
    • 2Oxopropanal
    • Ethanol Ketone
    • UNII-722KLD7415
    • HSDB 7510
    • Propanal, 2oxo
    • Ketopropionaldehyde
    • 2Oxopropionaldehyde
    • 1Ketopropionaldehyde
    • 2Ketopropionaldehyde
    • Propionaldehyde, 2oxo
    • Pyruvaldehyde (8CI)
    • alphaKetopropionaldehyde
    • 2-keto Propionaldehyde
    • Propionaldehyde, 2keto
    • alphaKetopropionic aldehyde
    • Epitope ID:143620
    • WLN: VHV1
    • EC 201-164-8
    • 4-01-00-03631 (Beilstein Handbook Reference)
    • Propanal, 2-oxo- (9CI)
    • Pyruvic aldehyde Methylglyoxal
    • METHYL GLYOXAL [HSDB]
    • Pyruvaldehyde, 40% in water
    • CHEMBL170721
    • DTXCID101628
    • GTPL6303
    • NSC79019
    • STR03080
    • Tox21_303931
    • NSC133492
    • NSC133493
    • Pyruvaldehyde, 35% aqueous solution
    • AKOS000119318
    • AB00820
    • DB03587
    • FP33211
    • HY-W020014
    • NSC-133492
    • NSC-133493
    • CAS-78-98-8
    • Pyruvaldehyde (35per cent w/w aqueous)
    • NCGC00356972-01
    • BP-20618
    • CS-0031856
    • NS00005494
    • EN300-21293
    • C00546
    • Q903881
    • 194597AC-5BFC-42EA-B6C8-DA2E5FAA13AF
    • F0001-2060
    • Z104495190
    • Pyruvic aldehyde - Technical grade, 35-45% w/w aqueous solution
    • 201-164-8

  • Applications

    Pyruvaldehyde solution (CAS 78-98-8), also known as methylglyoxal, is a highly reactive α-dicarbonyl compound employed widely as an organic-synthesis building block for heterocycles such as imidazoles, pyrazines and thiazoles, as a precursor to antibacterial and anticancer drugs, as a cross-linker for protein-polysaccharide systems improving the strength of adhesives, coatings and biomedical materials, as a biochemical probe to model protein glycation and generate AGEs for aging and diabetes studies, as a controlled oxidative stressor in cell and microbial culture, as a flavor and fragrance ingredient imparting caramel and honey notes to foods, and further as a topical antiseptic, leather-tanning auxiliary, fluorimetric carbonyl derivatization reagent and flavor-forming agent in tobacco products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 321.11
    methanol 678.76
    isopropanol 179.9
    water 917.14
    ethyl acetate 88.52
    n-propanol 171.46
    acetone 224.76
    n-butanol 138.24
    acetonitrile 268.21
    DMF 511.02
    toluene 19.38
    isobutanol 121.16
    1,4-dioxane 155.51
    methyl acetate 149.07
    THF 126.53
    2-butanone 138.72
    n-pentanol 99.58
    sec-butanol 138.22
    n-hexane 13.26
    ethylene glycol 239.67
    NMP 426.29
    cyclohexane 9.38
    DMSO 304.17
    n-butyl acetate 44.37
    n-octanol 55.72
    chloroform 101.25
    n-propyl acetate 61.62
    acetic acid 548.86
    dichloromethane 136.3
    cyclohexanone 117.17
    propylene glycol 157.89
    isopropyl acetate 42.36
    DMAc 480.16
    2-ethoxyethanol 242.46
    isopentanol 108.72
    n-heptane 9.59
    ethyl formate 150.67
    1,2-dichloroethane 82.96
    n-hexanol 61.23
    2-methoxyethanol 373.45
    isobutyl acetate 31.61
    tetrachloromethane 23.94
    n-pentyl acetate 35.06
    transcutol 381.98
    n-heptanol 36.59
    ethylbenzene 21.51
    MIBK 48.97
    2-propoxyethanol 132.02
    tert-butanol 186.56
    MTBE 86.4
    2-butoxyethanol 86.93
    propionic acid 205.35
    o-xylene 31.69
    formic acid 691.47
    diethyl ether 73.46
    m-xylene 19.98
    p-xylene 30.19
    chlorobenzene 30.5
    dimethyl carbonate 60.4
    n-octane 4.75
    formamide 645.07
    cyclopentanone 135.0
    2-pentanone 83.82
    anisole 71.18
    cyclopentyl methyl ether 57.99
    gamma-butyrolactone 195.91
    1-methoxy-2-propanol 205.76
    pyridine 101.74
    3-pentanone 71.02
    furfural 257.1
    n-dodecane 4.74
    diethylene glycol 177.31
    diisopropyl ether 19.83
    tert-amyl alcohol 161.34
    acetylacetone 89.82
    n-hexadecane 4.79
    acetophenone 79.86
    methyl propionate 94.75
    isopentyl acetate 39.78
    trichloroethylene 133.8
    n-nonanol 45.3
    cyclohexanol 86.54
    benzyl alcohol 85.31
    2-ethylhexanol 39.84
    isooctanol 31.33
    dipropyl ether 34.48
    1,2-dichlorobenzene 39.45
    ethyl lactate 58.93
    propylene carbonate 105.84
    n-methylformamide 370.94
    2-pentanol 82.22
    n-pentane 12.56
    1-propoxy-2-propanol 82.9
    1-methoxy-2-propyl acetate 52.43
    2-(2-methoxypropoxy) propanol 110.89
    mesitylene 15.34
    ε-caprolactone 121.88
    p-cymene 18.72
    epichlorohydrin 158.55
    1,1,1-trichloroethane 50.37
    2-aminoethanol 263.29
    morpholine-4-carbaldehyde 372.14
    sulfolane 201.27
    2,2,4-trimethylpentane 10.31
    2-methyltetrahydrofuran 104.55
    n-hexyl acetate 59.52
    isooctane 5.17
    2-(2-butoxyethoxy)ethanol 132.14
    sec-butyl acetate 35.21
    tert-butyl acetate 42.65
    decalin 8.28
    glycerin 244.83
    diglyme 221.66
    acrylic acid 246.66
    isopropyl myristate 24.2
    n-butyric acid 153.71
    acetyl acetate 59.79
    di(2-ethylhexyl) phthalate 35.17
    ethyl propionate 59.88
    nitromethane 606.4
    1,2-diethoxyethane 77.29
    benzonitrile 76.92
    trioctyl phosphate 23.25
    1-bromopropane 40.47
    gamma-valerolactone 237.27
    n-decanol 33.27
    triethyl phosphate 31.54
    4-methyl-2-pentanol 45.92
    propionitrile 124.81
    vinylene carbonate 121.61
    1,1,2-trichlorotrifluoroethane 195.09
    DMS 61.38
    cumene 20.58
    2-octanol 28.53
    2-hexanone 64.63
    octyl acetate 32.28
    limonene 26.14
    1,2-dimethoxyethane 249.97
    ethyl orthosilicate 29.12
    tributyl phosphate 30.94
    diacetone alcohol 97.07
    N,N-dimethylaniline 68.02
    acrylonitrile 180.6
    aniline 61.69
    1,3-propanediol 242.15
    bromobenzene 21.38
    dibromomethane 69.45
    1,1,2,2-tetrachloroethane 97.17
    2-methyl-cyclohexyl acetate 40.05
    tetrabutyl urea 46.82
    diisobutyl methanol 25.27
    2-phenylethanol 52.93
    styrene 24.8
    dioctyl adipate 42.22
    dimethyl sulfate 98.66
    ethyl butyrate 44.18
    methyl lactate 94.33
    butyl lactate 46.0
    diethyl carbonate 36.24
    propanediol butyl ether 115.94
    triethyl orthoformate 36.52
    p-tert-butyltoluene 16.82
    methyl 4-tert-butylbenzoate 67.06
    morpholine 191.3
    tert-butylamine 108.31
    n-dodecanol 25.62
    dimethoxymethane 169.1
    ethylene carbonate 85.31
    cyrene 110.12
    2-ethoxyethyl acetate 57.63
    2-ethylhexyl acetate 31.2
    1,2,4-trichlorobenzene 52.29
    4-methylpyridine 111.16
    dibutyl ether 40.54
    2,6-dimethyl-4-heptanol 25.27
    DEF 167.57
    dimethyl isosorbide 119.14
    tetrachloroethylene 80.7
    eugenol 80.95
    triacetin 79.36
    span 80 76.58
    1,4-butanediol 138.88
    1,1-dichloroethane 65.09
    2-methyl-1-pentanol 87.94
    methyl formate 273.52
    2-methyl-1-butanol 110.89
    n-decane 7.14
    butyronitrile 105.8
    3,7-dimethyl-1-octanol 52.65
    1-chlorooctane 22.5
    1-chlorotetradecane 10.2
    n-nonane 7.3
    undecane 5.57
    tert-butylcyclohexane 9.23
    cyclooctane 4.21
    cyclopentanol 96.08
    tetrahydropyran 80.55
    tert-amyl methyl ether 77.78
    2,5,8-trioxanonane 167.26
    1-hexene 32.68
    2-isopropoxyethanol 136.37
    2,2,2-trifluoroethanol 281.07
    methyl butyrate 85.87

    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