2-(1,2-dihydroxyethyl)-4,5-dihydroxyfuran-3-one

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  • Identifiers

    Molecular formula
    C6H8O6

    SMILES
    C(C(C1C(=O)C(=C(O1)O)O)O)O

  • Odor profile

    Fragrance
    Odorless 68.3%
    Caramellic 38.44%
    Sweet 25.45%
    Burnt 23.57%
    Savory 21.19%
    Clean 18.92%
    Sharp 18.59%
    Buttery 17.81%
    Milky 17.5%
    Roasted 15.67%

     

    Flavor
    Odorless 49.81%
    Very mild 37.76%
    Sweet-like 25.96%
    Bland 22.25%
    Sweet 21.53%
    Caramellic 21.3%
    Bitter 20.81%
    Cotton candy 20.47%
    Extremely sweet 20.36%
    Seedy 20.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.8

    pKa est.
    5.46 (weak acid)

    Molecular weight
    176.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    554°C

    Flash point

    • 219.42 ˚C est.

  • Applications

    2-(1,2-dihydroxyethyl)-4,5-dihydroxyfuran-3-one is commonly used as an organic synthesis intermediate. In industrial settings, it can serve as a building block for polyols and polyurethane formulations (due to its multiple hydroxyl groups), as a precursor for carbohydrate-derived polymers and for coatings, inks, and adhesives. It is also evaluated as a precursor for pharmaceutical synthesis and related medicinal chemistry research. In cosmetics and personal care, it may be considered as a polyol component for specialized formulations, subject to regulatory requirements and formulation limits in local jurisdictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.76
    methanol 46.95
    isopropanol 3.07
    water 256.12
    ethyl acetate 0.38
    n-propanol 2.81
    acetone 1.06
    n-butanol 1.97
    acetonitrile 1.04
    DMF 122.02
    toluene 0.45
    isobutanol 1.29
    1,4-dioxane 4.23
    methyl acetate 0.58
    THF 2.24
    2-butanone 0.8
    n-pentanol 1.78
    sec-butanol 1.92
    n-hexane 0.17
    ethylene glycol 94.84
    NMP 85.53
    cyclohexane 0.56
    DMSO 490.55
    n-butyl acetate 0.62
    n-octanol 2.02
    chloroform 0.45
    n-propyl acetate 0.4
    acetic acid 3.69
    dichloromethane 1.13
    cyclohexanone 2.26
    propylene glycol 26.4
    isopropyl acetate 0.37
    DMAc 73.37
    2-ethoxyethanol 19.54
    isopentanol 1.37
    n-heptane 0.85
    ethyl formate 1.05
    1,2-dichloroethane 1.36
    n-hexanol 2.1
    2-methoxyethanol 44.78
    isobutyl acetate 0.19
    tetrachloromethane 0.28
    n-pentyl acetate 0.74
    transcutol 13.97
    n-heptanol 2.6
    ethylbenzene 0.46
    MIBK 0.62
    2-propoxyethanol 11.28
    tert-butanol 3.01
    MTBE 0.77
    2-butoxyethanol 8.65
    propionic acid 2.07
    o-xylene 1.09
    formic acid 87.85
    diethyl ether 0.73
    m-xylene 0.73
    p-xylene 0.52
    chlorobenzene 0.24
    dimethyl carbonate 3.27
    n-octane 0.41
    formamide 90.74
    cyclopentanone 2.12
    2-pentanone 0.66
    anisole 1.04
    cyclopentyl methyl ether 1.4
    gamma-butyrolactone 3.51
    1-methoxy-2-propanol 19.48
    pyridine 1.87
    3-pentanone 0.75
    furfural 9.0
    n-dodecane 0.25
    diethylene glycol 39.45
    diisopropyl ether 0.35
    tert-amyl alcohol 2.39
    acetylacetone 1.43
    n-hexadecane 0.28
    acetophenone 1.83
    methyl propionate 1.26
    isopentyl acetate 0.5
    trichloroethylene 1.09
    n-nonanol 1.95
    cyclohexanol 2.5
    benzyl alcohol 2.97
    2-ethylhexanol 1.18
    isooctanol 1.7
    dipropyl ether 1.45
    1,2-dichlorobenzene 0.49
    ethyl lactate 3.15
    propylene carbonate 1.5
    n-methylformamide 33.76
    2-pentanol 1.15
    n-pentane 0.28
    1-propoxy-2-propanol 6.22
    1-methoxy-2-propyl acetate 2.22
    2-(2-methoxypropoxy) propanol 8.45
    mesitylene 0.71
    ε-caprolactone 2.31
    p-cymene 0.82
    epichlorohydrin 2.89
    1,1,1-trichloroethane 0.21
    2-aminoethanol 43.4
    morpholine-4-carbaldehyde 53.25
    sulfolane 32.62
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 1.17
    n-hexyl acetate 0.94
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 10.85
    sec-butyl acetate 0.24
    tert-butyl acetate 0.64
    decalin 0.23
    glycerin 88.08
    diglyme 16.37
    acrylic acid 4.74
    isopropyl myristate 0.57
    n-butyric acid 1.2
    acetyl acetate 0.39
    di(2-ethylhexyl) phthalate 1.38
    ethyl propionate 0.51
    nitromethane 7.47
    1,2-diethoxyethane 1.6
    benzonitrile 0.99
    trioctyl phosphate 1.32
    1-bromopropane 0.45
    gamma-valerolactone 9.48
    n-decanol 1.62
    triethyl phosphate 1.19
    4-methyl-2-pentanol 0.78
    propionitrile 0.74
    vinylene carbonate 1.81
    1,1,2-trichlorotrifluoroethane 16.5
    DMS 1.22
    cumene 0.48
    2-octanol 1.33
    2-hexanone 0.58
    octyl acetate 0.9
    limonene 1.15
    1,2-dimethoxyethane 9.84
    ethyl orthosilicate 1.12
    tributyl phosphate 0.83
    diacetone alcohol 3.75
    N,N-dimethylaniline 2.58
    acrylonitrile 1.9
    aniline 1.44
    1,3-propanediol 21.08
    bromobenzene 0.21
    dibromomethane 0.65
    1,1,2,2-tetrachloroethane 1.64
    2-methyl-cyclohexyl acetate 0.81
    tetrabutyl urea 2.74
    diisobutyl methanol 1.02
    2-phenylethanol 2.54
    styrene 0.37
    dioctyl adipate 1.19
    dimethyl sulfate 14.93
    ethyl butyrate 0.76
    methyl lactate 10.64
    butyl lactate 2.09
    diethyl carbonate 0.62
    propanediol butyl ether 9.61
    triethyl orthoformate 1.09
    p-tert-butyltoluene 0.84
    methyl 4-tert-butylbenzoate 4.26
    morpholine 7.13
    tert-butylamine 1.44
    n-dodecanol 1.33
    dimethoxymethane 14.82
    ethylene carbonate 1.25
    cyrene 17.49
    2-ethoxyethyl acetate 1.33
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 0.68
    4-methylpyridine 1.41
    dibutyl ether 0.73
    2,6-dimethyl-4-heptanol 1.02
    DEF 6.59
    dimethyl isosorbide 10.44
    tetrachloroethylene 1.52
    eugenol 6.04
    triacetin 1.97
    span 80 6.76
    1,4-butanediol 15.07
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 1.21
    methyl formate 11.92
    2-methyl-1-butanol 1.37
    n-decane 0.38
    butyronitrile 0.61
    3,7-dimethyl-1-octanol 1.16
    1-chlorooctane 0.6
    1-chlorotetradecane 0.36
    n-nonane 0.4
    undecane 0.3
    tert-butylcyclohexane 0.13
    cyclooctane 0.46
    cyclopentanol 2.4
    tetrahydropyran 1.15
    tert-amyl methyl ether 1.05
    2,5,8-trioxanonane 16.87
    1-hexene 0.27
    2-isopropoxyethanol 7.16
    2,2,2-trifluoroethanol 8.01
    methyl butyrate 0.77

    Scent© AI

1 3

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