4-Hydroxy-2-(hydroxymethyl)-5-methyl-3(2H)-furanone

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  • Identifiers

    CAS number
    17678-20-5

    Molecular formula
    C6H8O4

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

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 79.51%
    Burnt 50.91%
    Sweet 49.04%
    Roasted 39.6%
    Buttery 35.88%
    Fruity 29.46%
    Savory 27.47%
    Milky 25.56%
    Coffee 25.19%
    Meaty 24.57%

     

    Flavor
    Caramel 75.13%
    Sweet 69.36%
    Maple 49.06%
    Sugar 44.2%
    Candy 40.74%
    Bread 33.13%
    Cotton 31.27%
    Buttery 30.19%
    Creamy 25.74%
    Very mild 24.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.18 (neutral)

    Molecular weight
    144.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 146.7 ˚C est.

  • Synonyms

    • 17678-20-5
    • 4-Hydroxy-2-(hydroxymethyl)-5-methyl-3(2H)-furanone
    • 4-Hydroxy-2-(hydroxymethyl)-5-methylfuran-3(2H)-one
    • SCHEMBL7769389
    • DTXSID00938854
    • 3-Hydroxy-5-hydroxymethyl-2-methyl- (5H)-furan-4-on
    • 17678-20-5

  • Applications

    4-Hydroxy-2-(hydroxymethyl)-5-methyl-3(2H)-furanone (CAS 17678-20-5) is a hydroxy-substituted gamma-lactone with both -OH and -CH2OH groups. In the fragrance industry, it may serve as an odorant or fragrance precursor, potentially imparting fruity or nuanced notes depending on the formulation. It may also be evaluated as a flavor ingredient or flavor precursor for specialty products within regulatory allowances. The compound serves as an intermediate in organic synthesis for constructing more complex lactone-containing molecules. In polymer and materials science, it may be explored as a building block or functional modifier for specialty lactone-containing polymers or resins, and in cosmetics/personal care as a fragrance ingredient in formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 149.44
    methanol 342.75
    isopropanol 69.97
    water 312.1
    ethyl acetate 28.61
    n-propanol 81.76
    acetone 80.91
    n-butanol 60.21
    acetonitrile 49.52
    DMF 447.92
    toluene 3.44
    isobutanol 42.12
    1,4-dioxane 141.14
    methyl acetate 40.6
    THF 122.76
    2-butanone 42.7
    n-pentanol 43.25
    sec-butanol 46.8
    n-hexane 1.22
    ethylene glycol 356.5
    NMP 138.95
    cyclohexane 1.51
    DMSO 929.78
    n-butyl acetate 14.94
    n-octanol 23.93
    chloroform 25.87
    n-propyl acetate 17.37
    acetic acid 108.37
    dichloromethane 54.81
    cyclohexanone 43.28
    propylene glycol 106.17
    isopropyl acetate 17.83
    DMAc 223.64
    2-ethoxyethanol 251.81
    isopentanol 41.49
    n-heptane 2.01
    ethyl formate 58.99
    1,2-dichloroethane 49.3
    n-hexanol 31.17
    2-methoxyethanol 479.64
    isobutyl acetate 7.82
    tetrachloromethane 9.0
    n-pentyl acetate 16.21
    transcutol 159.97
    n-heptanol 22.82
    ethylbenzene 4.84
    MIBK 27.39
    2-propoxyethanol 118.05
    tert-butanol 85.87
    MTBE 29.43
    2-butoxyethanol 68.55
    propionic acid 48.98
    o-xylene 7.55
    formic acid 458.14
    diethyl ether 30.93
    m-xylene 5.91
    p-xylene 5.47
    chlorobenzene 7.52
    dimethyl carbonate 38.82
    n-octane 1.56
    formamide 516.61
    cyclopentanone 72.14
    2-pentanone 37.76
    anisole 25.4
    cyclopentyl methyl ether 29.34
    gamma-butyrolactone 100.64
    1-methoxy-2-propanol 199.96
    pyridine 30.94
    3-pentanone 25.22
    furfural 134.1
    n-dodecane 1.53
    diethylene glycol 231.35
    diisopropyl ether 8.41
    tert-amyl alcohol 57.88
    acetylacetone 56.33
    n-hexadecane 1.63
    acetophenone 27.17
    methyl propionate 40.45
    isopentyl acetate 14.56
    trichloroethylene 50.11
    n-nonanol 21.08
    cyclohexanol 30.69
    benzyl alcohol 36.05
    2-ethylhexanol 15.76
    isooctanol 17.79
    dipropyl ether 14.49
    1,2-dichlorobenzene 12.56
    ethyl lactate 34.85
    propylene carbonate 37.47
    n-methylformamide 273.4
    2-pentanol 32.31
    n-pentane 1.6
    1-propoxy-2-propanol 58.75
    1-methoxy-2-propyl acetate 33.17
    2-(2-methoxypropoxy) propanol 54.84
    mesitylene 5.4
    ε-caprolactone 44.04
    p-cymene 6.22
    epichlorohydrin 134.74
    1,1,1-trichloroethane 16.52
    2-aminoethanol 252.34
    morpholine-4-carbaldehyde 214.67
    sulfolane 194.49
    2,2,4-trimethylpentane 1.64
    2-methyltetrahydrofuran 47.0
    n-hexyl acetate 22.25
    isooctane 1.3
    2-(2-butoxyethoxy)ethanol 75.81
    sec-butyl acetate 10.17
    tert-butyl acetate 26.57
    decalin 1.55
    glycerin 290.56
    diglyme 152.4
    acrylic acid 59.4
    isopropyl myristate 10.75
    n-butyric acid 51.3
    acetyl acetate 18.22
    di(2-ethylhexyl) phthalate 14.25
    ethyl propionate 18.79
    nitromethane 223.6
    1,2-diethoxyethane 32.95
    benzonitrile 22.6
    trioctyl phosphate 12.57
    1-bromopropane 13.92
    gamma-valerolactone 136.06
    n-decanol 15.9
    triethyl phosphate 15.14
    4-methyl-2-pentanol 20.7
    propionitrile 29.44
    vinylene carbonate 41.33
    1,1,2-trichlorotrifluoroethane 145.58
    DMS 21.96
    cumene 5.0
    2-octanol 16.01
    2-hexanone 20.76
    octyl acetate 14.9
    limonene 8.61
    1,2-dimethoxyethane 216.73
    ethyl orthosilicate 13.73
    tributyl phosphate 12.1
    diacetone alcohol 68.15
    N,N-dimethylaniline 22.77
    acrylonitrile 54.24
    aniline 16.97
    1,3-propanediol 250.86
    bromobenzene 5.32
    dibromomethane 26.0
    1,1,2,2-tetrachloroethane 45.81
    2-methyl-cyclohexyl acetate 15.12
    tetrabutyl urea 20.89
    diisobutyl methanol 11.97
    2-phenylethanol 28.84
    styrene 4.79
    dioctyl adipate 17.07
    dimethyl sulfate 105.7
    ethyl butyrate 15.91
    methyl lactate 68.1
    butyl lactate 23.09
    diethyl carbonate 12.5
    propanediol butyl ether 63.13
    triethyl orthoformate 15.65
    p-tert-butyltoluene 6.5
    methyl 4-tert-butylbenzoate 36.19
    morpholine 136.04
    tert-butylamine 33.61
    n-dodecanol 12.37
    dimethoxymethane 222.07
    ethylene carbonate 33.53
    cyrene 67.41
    2-ethoxyethyl acetate 28.31
    2-ethylhexyl acetate 10.38
    1,2,4-trichlorobenzene 14.73
    4-methylpyridine 25.78
    dibutyl ether 12.97
    2,6-dimethyl-4-heptanol 11.97
    DEF 77.22
    dimethyl isosorbide 76.61
    tetrachloroethylene 38.16
    eugenol 46.76
    triacetin 27.23
    span 80 36.57
    1,4-butanediol 133.83
    1,1-dichloroethane 20.45
    2-methyl-1-pentanol 30.15
    methyl formate 202.21
    2-methyl-1-butanol 37.6
    n-decane 2.3
    butyronitrile 29.91
    3,7-dimethyl-1-octanol 18.37
    1-chlorooctane 8.73
    1-chlorotetradecane 3.96
    n-nonane 2.09
    undecane 1.84
    tert-butylcyclohexane 1.54
    cyclooctane 1.09
    cyclopentanol 42.41
    tetrahydropyran 33.66
    tert-amyl methyl ether 28.56
    2,5,8-trioxanonane 113.04
    1-hexene 4.16
    2-isopropoxyethanol 108.52
    2,2,2-trifluoroethanol 113.13
    methyl butyrate 29.23

    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