2,5-Dihydro-4-hydroxy-2-methyl-5-oxo-2-furancarboxylic acid

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  • Identifiers

    CAS number
    24891-71-2

    Molecular formula
    C6H6O5

    SMILES
    CC1(C=C(C(=O)O1)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 58.48%
    Odorless 46.7%
    Burnt 41.68%
    Sweet 33.36%
    Buttery 31.4%
    Roasted 29.33%
    Sour 28.85%
    Creamy 22.42%
    Sharp 22.01%
    Savory 21.73%

     

    Flavor
    Caramel 46.69%
    Very mild 32.86%
    Odorless 31.93%
    Maple 31.21%
    Sugar 31.06%
    Caramellic 27.52%
    Buttery 26.05%
    Bread 25.51%
    Sour 24.44%
    Cotton candy 23.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.35 (weak acid)

    Molecular weight
    158.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 165.57 ˚C est.

  • Synonyms

    • 2,5-Dihydro-4-hydroxy-2-methyl-5-oxo-2-furancarboxylic acid
    • 24891-71-2
    • RefChem:247461
    • Zymonic acid
    • SCHEMBL16648933
    • CHEBI:172309
    • 4-hydroxy-2-methyl-5-oxo-2,5-dihydrofuran-2-carboxylic acid
    • DTXSID701187301
    • 4-hydroxy-2-methyl-5-oxouran-2-carboxylic acid
    • 2,5-Dihydro-4-hydroxy-2-methyl-5-oxo-2-furancarboxylic acid, 9CI
    • 24891-71-2

  • Applications

    2,5-Dihydro-4-hydroxy-2-methyl-5-oxo-2-furancarboxylic acid (CAS 24891-71-2) is primarily used as an organic synthesis intermediate and building block for more complex furanone and lactone derivatives; it may serve in pharmaceutical and fine chemical workflows as a precursor to functionalized compounds and as a scaffold for monomer and material development in polymers/plastics; in the fragrance and cosmetics sector it is explored as an intermediate for scent-related ingredients and specialty additives; in coatings and inks it can function as a chemical intermediate for resin and pigment chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 380.57
    methanol 717.69
    isopropanol 198.09
    water 400.92
    ethyl acetate 34.14
    n-propanol 185.32
    acetone 191.19
    n-butanol 135.55
    acetonitrile 50.83
    DMF 895.96
    toluene 7.42
    isobutanol 89.75
    1,4-dioxane 204.93
    methyl acetate 58.89
    THF 306.31
    2-butanone 86.07
    n-pentanol 80.51
    sec-butanol 123.62
    n-hexane 2.36
    ethylene glycol 445.96
    NMP 154.46
    cyclohexane 2.07
    DMSO 1420.02
    n-butyl acetate 15.65
    n-octanol 38.74
    chloroform 22.19
    n-propyl acetate 20.29
    acetic acid 73.47
    dichloromethane 47.19
    cyclohexanone 45.39
    propylene glycol 151.73
    isopropyl acetate 22.41
    DMAc 381.03
    2-ethoxyethanol 441.14
    isopentanol 96.88
    n-heptane 2.83
    ethyl formate 71.96
    1,2-dichloroethane 52.3
    n-hexanol 50.03
    2-methoxyethanol 882.65
    isobutyl acetate 5.54
    tetrachloromethane 8.92
    n-pentyl acetate 17.07
    transcutol 167.23
    n-heptanol 39.8
    ethylbenzene 7.68
    MIBK 38.71
    2-propoxyethanol 192.06
    tert-butanol 235.65
    MTBE 73.99
    2-butoxyethanol 102.42
    propionic acid 38.03
    o-xylene 10.54
    formic acid 425.12
    diethyl ether 73.77
    m-xylene 8.15
    p-xylene 7.11
    chlorobenzene 5.47
    dimethyl carbonate 54.48
    n-octane 2.62
    formamide 685.87
    cyclopentanone 92.56
    2-pentanone 70.98
    anisole 41.86
    cyclopentyl methyl ether 53.43
    gamma-butyrolactone 96.79
    1-methoxy-2-propanol 375.58
    pyridine 42.7
    3-pentanone 37.35
    furfural 102.93
    n-dodecane 2.18
    diethylene glycol 323.42
    diisopropyl ether 13.85
    tert-amyl alcohol 153.9
    acetylacetone 65.65
    n-hexadecane 2.35
    acetophenone 30.84
    methyl propionate 51.17
    isopentyl acetate 13.47
    trichloroethylene 43.88
    n-nonanol 35.25
    cyclohexanol 43.26
    benzyl alcohol 48.76
    2-ethylhexanol 18.95
    isooctanol 27.67
    dipropyl ether 22.33
    1,2-dichlorobenzene 7.45
    ethyl lactate 28.03
    propylene carbonate 24.27
    n-methylformamide 437.82
    2-pentanol 71.1
    n-pentane 3.73
    1-propoxy-2-propanol 80.98
    1-methoxy-2-propyl acetate 30.34
    2-(2-methoxypropoxy) propanol 62.92
    mesitylene 6.48
    ε-caprolactone 36.08
    p-cymene 5.88
    epichlorohydrin 191.28
    1,1,1-trichloroethane 14.81
    2-aminoethanol 404.46
    morpholine-4-carbaldehyde 284.87
    sulfolane 160.28
    2,2,4-trimethylpentane 1.83
    2-methyltetrahydrofuran 95.73
    n-hexyl acetate 23.07
    isooctane 1.46
    2-(2-butoxyethoxy)ethanol 99.79
    sec-butyl acetate 10.78
    tert-butyl acetate 32.66
    decalin 1.4
    glycerin 286.71
    diglyme 202.5
    acrylic acid 37.25
    isopropyl myristate 11.74
    n-butyric acid 43.89
    acetyl acetate 13.25
    di(2-ethylhexyl) phthalate 12.45
    ethyl propionate 21.77
    nitromethane 219.31
    1,2-diethoxyethane 47.57
    benzonitrile 14.46
    trioctyl phosphate 13.18
    1-bromopropane 20.55
    gamma-valerolactone 152.02
    n-decanol 26.88
    triethyl phosphate 13.03
    4-methyl-2-pentanol 37.09
    propionitrile 32.42
    vinylene carbonate 22.02
    1,1,2-trichlorotrifluoroethane 128.98
    DMS 16.39
    cumene 6.12
    2-octanol 26.81
    2-hexanone 32.95
    octyl acetate 17.79
    limonene 7.56
    1,2-dimethoxyethane 459.58
    ethyl orthosilicate 12.97
    tributyl phosphate 10.62
    diacetone alcohol 99.77
    N,N-dimethylaniline 33.72
    acrylonitrile 50.35
    aniline 24.72
    1,3-propanediol 382.45
    bromobenzene 4.24
    dibromomethane 24.4
    1,1,2,2-tetrachloroethane 42.8
    2-methyl-cyclohexyl acetate 11.28
    tetrabutyl urea 21.55
    diisobutyl methanol 15.16
    2-phenylethanol 36.28
    styrene 7.45
    dioctyl adipate 14.7
    dimethyl sulfate 113.22
    ethyl butyrate 14.7
    methyl lactate 71.07
    butyl lactate 18.16
    diethyl carbonate 10.28
    propanediol butyl ether 69.54
    triethyl orthoformate 13.97
    p-tert-butyltoluene 6.4
    methyl 4-tert-butylbenzoate 35.64
    morpholine 234.43
    tert-butylamine 85.67
    n-dodecanol 19.64
    dimethoxymethane 508.59
    ethylene carbonate 19.46
    cyrene 63.52
    2-ethoxyethyl acetate 28.51
    2-ethylhexyl acetate 8.89
    1,2,4-trichlorobenzene 9.16
    4-methylpyridine 38.26
    dibutyl ether 18.73
    2,6-dimethyl-4-heptanol 15.16
    DEF 121.12
    dimethyl isosorbide 72.73
    tetrachloroethylene 37.09
    eugenol 47.42
    triacetin 17.21
    span 80 38.15
    1,4-butanediol 185.69
    1,1-dichloroethane 21.47
    2-methyl-1-pentanol 54.39
    methyl formate 319.4
    2-methyl-1-butanol 78.67
    n-decane 3.48
    butyronitrile 36.15
    3,7-dimethyl-1-octanol 25.93
    1-chlorooctane 10.9
    1-chlorotetradecane 5.24
    n-nonane 3.25
    undecane 2.7
    tert-butylcyclohexane 1.46
    cyclooctane 1.46
    cyclopentanol 67.95
    tetrahydropyran 62.34
    tert-amyl methyl ether 60.09
    2,5,8-trioxanonane 140.19
    1-hexene 8.65
    2-isopropoxyethanol 169.49
    2,2,2-trifluoroethanol 79.33
    methyl butyrate 33.77

    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