Hydroxypyruvaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    997-10-4

    Molecular formula
    C3H4O3

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

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 75.74%
    Sweet 61.69%
    Burnt 50.6%
    Buttery 45.43%
    Pungent 42.84%
    Sharp 39.79%
    Ethereal 39.07%
    Rummy 32.7%
    Sour 31.69%
    Fatty 31.26%

     

    Flavor
    Sweet 40.33%
    Sour 39.04%
    Odorless 37.87%
    Caramel 34.6%
    Caramellic 33.69%
    Acidic 29.68%
    Buttery 28.78%
    Creamy 26.22%
    Pungent 25.43%
    Brown 24.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    5.69 (weak acid)

    Molecular weight
    88.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 96.41 ˚C est.

  • Synonyms

    • Hydroxypyruvaldehyde
    • 3-Hydroxy-2-oxopropanal
    • 997-10-4
    • NE0T88WG0M
    • CHEBI:46660
    • DTXSID10244211
    • RefChem:923166
    • GlyTouCan:G46314WZ
    • DTXCID10166702
    • G46314WZ
    • PYRUVALDEHYDE, HYDROXY-
    • Propanal, 3-hydroxy-2-oxo-
    • 2,3-dihydroxyacrolein
    • NSC-409965
    • Glycerosone
    • ACROLEIN, 2,3-DIHYDROXY-
    • NSC 409965
    • UNII-NE0T88WG0M
    • ACROLEIN,3-DIHYDROXY-
    • SCHEMBL168238
    • SCHEMBL10537866
    • SCHEMBL28241580
    • NSC409965
    • AKOS022504314
    • Q27120674
    • 997-10-4

  • Applications

    Hydroxypyruvaldehyde (CAS 997-10-4) is primarily used as a reactive intermediate in organic synthesis, enabling access to complex fine chemicals and pharmaceutical intermediates; it is also evaluated as a building block in fragrance and flavor chemistry due to its aldehyde and hydroxyl functionality; in polymer and coating chemistries it can participate in resin formation and crosslinking with amino groups, supporting specialty coatings and adhesive formulations; it is sometimes explored as a precursor for functionalized materials and advanced polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.98
    methanol 188.25
    isopropanol 21.34
    water 781.95
    ethyl acetate 4.6
    n-propanol 30.92
    acetone 21.95
    n-butanol 17.82
    acetonitrile 18.88
    DMF 397.23
    toluene 0.46
    isobutanol 14.65
    1,4-dioxane 13.28
    methyl acetate 10.7
    THF 13.43
    2-butanone 12.45
    n-pentanol 9.37
    sec-butanol 15.97
    n-hexane 0.29
    ethylene glycol 182.77
    NMP 237.47
    cyclohexane 0.9
    DMSO 417.34
    n-butyl acetate 2.92
    n-octanol 4.28
    chloroform 1.83
    n-propyl acetate 3.87
    acetic acid 143.35
    dichloromethane 3.79
    cyclohexanone 15.68
    propylene glycol 80.2
    isopropyl acetate 2.54
    DMAc 227.1
    2-ethoxyethanol 55.04
    isopentanol 11.4
    n-heptane 0.83
    ethyl formate 14.62
    1,2-dichloroethane 4.1
    n-hexanol 5.43
    2-methoxyethanol 140.65
    isobutyl acetate 1.67
    tetrachloromethane 0.84
    n-pentyl acetate 2.58
    transcutol 81.45
    n-heptanol 4.41
    ethylbenzene 0.56
    MIBK 4.34
    2-propoxyethanol 20.66
    tert-butanol 21.62
    MTBE 3.89
    2-butoxyethanol 15.26
    propionic acid 50.19
    o-xylene 1.29
    formic acid 502.96
    diethyl ether 3.08
    m-xylene 0.75
    p-xylene 0.81
    chlorobenzene 0.68
    dimethyl carbonate 9.16
    n-octane 0.35
    formamide 530.7
    cyclopentanone 18.82
    2-pentanone 6.87
    anisole 2.9
    cyclopentyl methyl ether 5.18
    gamma-butyrolactone 28.24
    1-methoxy-2-propanol 54.58
    pyridine 7.49
    3-pentanone 5.88
    furfural 39.66
    n-dodecane 0.28
    diethylene glycol 56.05
    diisopropyl ether 1.07
    tert-amyl alcohol 19.17
    acetylacetone 9.51
    n-hexadecane 0.28
    acetophenone 6.12
    methyl propionate 9.89
    isopentyl acetate 2.55
    trichloroethylene 4.97
    n-nonanol 3.8
    cyclohexanol 12.56
    benzyl alcohol 7.1
    2-ethylhexanol 3.38
    isooctanol 3.79
    dipropyl ether 2.76
    1,2-dichlorobenzene 1.33
    ethyl lactate 9.82
    propylene carbonate 11.03
    n-methylformamide 218.81
    2-pentanol 7.63
    n-pentane 0.56
    1-propoxy-2-propanol 12.71
    1-methoxy-2-propyl acetate 5.53
    2-(2-methoxypropoxy) propanol 22.54
    mesitylene 0.88
    ε-caprolactone 15.68
    p-cymene 1.22
    epichlorohydrin 14.25
    1,1,1-trichloroethane 1.21
    2-aminoethanol 157.81
    morpholine-4-carbaldehyde 122.36
    sulfolane 83.4
    2,2,4-trimethylpentane 0.47
    2-methyltetrahydrofuran 7.89
    n-hexyl acetate 3.83
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 26.41
    sec-butyl acetate 1.86
    tert-butyl acetate 3.49
    decalin 0.39
    glycerin 166.85
    diglyme 46.87
    acrylic acid 78.53
    isopropyl myristate 1.8
    n-butyric acid 23.61
    acetyl acetate 3.78
    di(2-ethylhexyl) phthalate 4.17
    ethyl propionate 3.51
    nitromethane 157.11
    1,2-diethoxyethane 5.84
    benzonitrile 3.81
    trioctyl phosphate 3.14
    1-bromopropane 1.3
    gamma-valerolactone 45.74
    n-decanol 2.97
    triethyl phosphate 3.56
    4-methyl-2-pentanol 4.19
    propionitrile 9.02
    vinylene carbonate 12.57
    1,1,2-trichlorotrifluoroethane 47.28
    DMS 4.51
    cumene 0.79
    2-octanol 2.51
    2-hexanone 4.37
    octyl acetate 2.75
    limonene 2.16
    1,2-dimethoxyethane 33.92
    ethyl orthosilicate 3.07
    tributyl phosphate 3.39
    diacetone alcohol 17.59
    N,N-dimethylaniline 5.39
    acrylonitrile 20.37
    aniline 3.7
    1,3-propanediol 105.61
    bromobenzene 0.38
    dibromomethane 1.92
    1,1,2,2-tetrachloroethane 4.72
    2-methyl-cyclohexyl acetate 3.59
    tetrabutyl urea 7.99
    diisobutyl methanol 2.77
    2-phenylethanol 4.42
    styrene 0.63
    dioctyl adipate 4.62
    dimethyl sulfate 28.93
    ethyl butyrate 3.67
    methyl lactate 27.94
    butyl lactate 6.97
    diethyl carbonate 2.76
    propanediol butyl ether 22.87
    triethyl orthoformate 3.43
    p-tert-butyltoluene 1.2
    methyl 4-tert-butylbenzoate 10.05
    morpholine 29.49
    tert-butylamine 8.34
    n-dodecanol 2.37
    dimethoxymethane 34.36
    ethylene carbonate 8.0
    cyrene 33.6
    2-ethoxyethyl acetate 4.53
    2-ethylhexyl acetate 1.86
    1,2,4-trichlorobenzene 1.97
    4-methylpyridine 5.1
    dibutyl ether 2.23
    2,6-dimethyl-4-heptanol 2.77
    DEF 37.45
    dimethyl isosorbide 23.83
    tetrachloroethylene 4.48
    eugenol 13.24
    triacetin 8.75
    span 80 15.58
    1,4-butanediol 43.57
    1,1-dichloroethane 1.45
    2-methyl-1-pentanol 7.52
    methyl formate 83.13
    2-methyl-1-butanol 13.14
    n-decane 0.39
    butyronitrile 6.22
    3,7-dimethyl-1-octanol 4.16
    1-chlorooctane 1.04
    1-chlorotetradecane 0.55
    n-nonane 0.38
    undecane 0.32
    tert-butylcyclohexane 0.33
    cyclooctane 0.4
    cyclopentanol 15.55
    tetrahydropyran 5.76
    tert-amyl methyl ether 4.62
    2,5,8-trioxanonane 39.47
    1-hexene 0.7
    2-isopropoxyethanol 20.36
    2,2,2-trifluoroethanol 93.86
    methyl butyrate 7.02

    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