Hydroxypyruvic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1113-60-6

    Molecular formula
    C3H4O4

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 61.16%
    Sour 47.66%
    Burnt 46.21%
    Odorless 45.34%
    Buttery 39.32%
    Sharp 36.84%
    Creamy 29.03%
    Sweet 28.49%
    Winey 28.18%
    Milky 25.78%

     

    Flavor
    Odorless 53.04%
    Sour 47.09%
    Very mild 35.24%
    Caramellic 34.74%
    Acidic 27.31%
    Nutty 22.55%
    Caramel 21.9%
    Musty 21.86%
    Sharp 21.66%
    Buttery 21.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    4.96 (weak acid)

    Molecular weight
    104.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 148.02 ˚C est.

    Solubility expt.

    • soluble in water at 50 g/l at 20�C and white petrolatum at <100 g/kg at 20�C

  • Synonyms

    • hydroxypyruvic acid
    • 3-Hydroxypyruvic acid
    • 3-Hydroxy-2-oxopropanoic acid
    • 1113-60-6
    • hydroxypyruvate
    • beta-Hydroxypyruvate
    • beta-Hydroxypyruvic acid
    • UNII-934B2KHY0S
    • CHEBI:30841
    • OH-pyr
    • PYRUVIC ACID, HYDROXY-
    • 934B2KHY0S
    • FEMA NO. 3843
    • 3-Hydroxypyruvic Acid-13C2
    • DTXSID40149588
    • .BETA.-HYDROXYPYRUVIC ACID
    • Propanoic acid, 3-hydroxy-2-oxo-
    • 2-OXO-3-HYDROXYPROPIONIC ACID
    • 3-HYDROXY-2-OXOPROPANOIC ACID [FHFI]
    • 3PY
    • 131000-16-3
    • beta-Hydroxypyruvic acid;3-Hydroxypyruvic acid
    • 4mfe
    • beta-Hydoxypyruvic acid
    • I2-Hydroxypyruvic acid
    • beta -hydroxypyruvic acid
    • beta-hydroxy pyruvic acid
    • SCHEMBL60708
    • 3-Hydroxy-2-oxopropanoicacid
    • 2-oxo-3-hydroxypropanoic acid
    • CHEMBL1230192
    • DTXCID4072079
    • HHDDCCUIIUWNGJ-UHFFFAOYSA-N
    • AKOS006378194
    • DB02951
    • DA-74358
    • MS-22731
    • -Hydroxypyruvic acid;3-Hydroxypyruvic acid
    • HY-113013
    • CS-0059352
    • NS00068571
    • C00168
    • G12312
    • Q2823271
    • beta-Hydroxypyruvic acid, >=95.0% (dry substance, T)
    • 57F62DB6-3E65-46D6-9D9D-F816E2D838C7
    • 619-885-5

  • Applications

    Hydroxypyruvic acid (CAS 1113-60-6) is a useful intermediate in organic synthesis, commonly used as a building block for beta-hydroxy ketone motifs and other chiral building blocks. In industrial practice, it serves as a starting material for pharmaceutical and agrochemical syntheses, enabling access to complex synthon structures. In polymer and materials chemistry, it can act as a precursor for functionalized monomers or as a source of hydroxy and carbonyl functionality to modify polymer backbones. In biochemical and enzymatic research, it is used as a substrate or reference compound to study metabolic pathways related to glycolysis and related hydroxy-keto intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.28
    methanol 68.34
    isopropanol 9.47
    water 138.19
    ethyl acetate 1.65
    n-propanol 9.37
    acetone 13.59
    n-butanol 6.38
    acetonitrile 2.89
    DMF 313.17
    toluene 0.26
    isobutanol 4.87
    1,4-dioxane 5.9
    methyl acetate 2.79
    THF 10.25
    2-butanone 5.05
    n-pentanol 4.06
    sec-butanol 5.52
    n-hexane 0.16
    ethylene glycol 75.88
    NMP 155.3
    cyclohexane 0.31
    DMSO 428.18
    n-butyl acetate 1.15
    n-octanol 3.4
    chloroform 0.22
    n-propyl acetate 1.31
    acetic acid 23.27
    dichloromethane 0.59
    cyclohexanone 5.65
    propylene glycol 34.4
    isopropyl acetate 1.55
    DMAc 132.79
    2-ethoxyethanol 31.8
    isopentanol 5.86
    n-heptane 0.54
    ethyl formate 3.62
    1,2-dichloroethane 1.16
    n-hexanol 2.83
    2-methoxyethanol 81.47
    isobutyl acetate 0.46
    tetrachloromethane 0.15
    n-pentyl acetate 1.9
    transcutol 60.29
    n-heptanol 3.46
    ethylbenzene 0.23
    MIBK 4.11
    2-propoxyethanol 14.57
    tert-butanol 14.16
    MTBE 2.64
    2-butoxyethanol 12.68
    propionic acid 9.05
    o-xylene 0.63
    formic acid 122.5
    diethyl ether 1.92
    m-xylene 0.47
    p-xylene 0.26
    chlorobenzene 0.17
    dimethyl carbonate 4.62
    n-octane 0.26
    formamide 159.81
    cyclopentanone 9.42
    2-pentanone 5.48
    anisole 1.14
    cyclopentyl methyl ether 3.63
    gamma-butyrolactone 10.86
    1-methoxy-2-propanol 46.82
    pyridine 2.19
    3-pentanone 3.12
    furfural 14.3
    n-dodecane 0.17
    diethylene glycol 36.26
    diisopropyl ether 0.95
    tert-amyl alcohol 9.87
    acetylacetone 8.62
    n-hexadecane 0.18
    acetophenone 2.32
    methyl propionate 3.76
    isopentyl acetate 1.1
    trichloroethylene 0.99
    n-nonanol 3.14
    cyclohexanol 3.75
    benzyl alcohol 2.71
    2-ethylhexanol 1.6
    isooctanol 2.84
    dipropyl ether 1.8
    1,2-dichlorobenzene 0.28
    ethyl lactate 4.29
    propylene carbonate 3.49
    n-methylformamide 80.67
    2-pentanol 4.31
    n-pentane 0.31
    1-propoxy-2-propanol 10.01
    1-methoxy-2-propyl acetate 3.79
    2-(2-methoxypropoxy) propanol 15.95
    mesitylene 0.61
    ε-caprolactone 5.16
    p-cymene 0.56
    epichlorohydrin 6.07
    1,1,1-trichloroethane 0.25
    2-aminoethanol 57.32
    morpholine-4-carbaldehyde 68.87
    sulfolane 60.21
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 4.02
    n-hexyl acetate 2.53
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 22.99
    sec-butyl acetate 0.75
    tert-butyl acetate 3.01
    decalin 0.15
    glycerin 83.93
    diglyme 35.2
    acrylic acid 15.82
    isopropyl myristate 1.21
    n-butyric acid 6.26
    acetyl acetate 1.21
    di(2-ethylhexyl) phthalate 2.18
    ethyl propionate 1.31
    nitromethane 41.2
    1,2-diethoxyethane 4.18
    benzonitrile 0.82
    trioctyl phosphate 2.14
    1-bromopropane 0.39
    gamma-valerolactone 23.14
    n-decanol 2.4
    triethyl phosphate 1.36
    4-methyl-2-pentanol 3.21
    propionitrile 1.44
    vinylene carbonate 2.9
    1,1,2-trichlorotrifluoroethane 17.25
    DMS 1.97
    cumene 0.3
    2-octanol 2.3
    2-hexanone 2.09
    octyl acetate 1.75
    limonene 1.05
    1,2-dimethoxyethane 20.25
    ethyl orthosilicate 1.24
    tributyl phosphate 1.73
    diacetone alcohol 17.91
    N,N-dimethylaniline 2.45
    acrylonitrile 2.93
    aniline 1.32
    1,3-propanediol 43.45
    bromobenzene 0.1
    dibromomethane 0.36
    1,1,2,2-tetrachloroethane 1.13
    2-methyl-cyclohexyl acetate 1.32
    tetrabutyl urea 5.23
    diisobutyl methanol 1.85
    2-phenylethanol 2.08
    styrene 0.23
    dioctyl adipate 2.38
    dimethyl sulfate 20.06
    ethyl butyrate 1.3
    methyl lactate 16.52
    butyl lactate 4.47
    diethyl carbonate 0.71
    propanediol butyl ether 19.36
    triethyl orthoformate 1.42
    p-tert-butyltoluene 0.62
    methyl 4-tert-butylbenzoate 7.33
    morpholine 12.22
    tert-butylamine 4.52
    n-dodecanol 1.75
    dimethoxymethane 34.87
    ethylene carbonate 1.94
    cyrene 20.74
    2-ethoxyethyl acetate 3.39
    2-ethylhexyl acetate 0.73
    1,2,4-trichlorobenzene 0.41
    4-methylpyridine 1.84
    dibutyl ether 1.53
    2,6-dimethyl-4-heptanol 1.85
    DEF 19.85
    dimethyl isosorbide 16.16
    tetrachloroethylene 1.05
    eugenol 8.37
    triacetin 4.7
    span 80 12.06
    1,4-butanediol 19.34
    1,1-dichloroethane 0.32
    2-methyl-1-pentanol 3.35
    methyl formate 34.3
    2-methyl-1-butanol 4.82
    n-decane 0.28
    butyronitrile 1.28
    3,7-dimethyl-1-octanol 2.74
    1-chlorooctane 0.65
    1-chlorotetradecane 0.32
    n-nonane 0.28
    undecane 0.21
    tert-butylcyclohexane 0.14
    cyclooctane 0.22
    cyclopentanol 5.59
    tetrahydropyran 1.94
    tert-amyl methyl ether 3.21
    2,5,8-trioxanonane 30.26
    1-hexene 0.31
    2-isopropoxyethanol 13.31
    2,2,2-trifluoroethanol 18.39
    methyl butyrate 2.28

    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