2-Ethyl-4-(hydroxymethyl)furan-3-one

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  • Identifiers

    CAS number
    110516-60-4

    Molecular formula
    C7H10O3

    SMILES
    CCC1C(=O)C(=CO1)CO

  • Odor profile

    Fragrance
    Caramellic 72.42%
    Roasted 40.1%
    Burnt 39.24%
    Sweet 38.1%
    Buttery 36.41%
    Nutty 35.53%
    Coffee 25.42%
    Fruity 22.0%
    Milky 21.53%
    Creamy 20.94%

     

    Flavor
    Caramel 59.34%
    Sweet 45.07%
    Maple 36.24%
    Sugar 29.08%
    Fruity 26.88%
    Buttery 25.39%
    Candy 23.88%
    Spice 23.15%
    Cotton candy 22.96%
    Extremely sweet 22.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.17 (neutral)

    Molecular weight
    142.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    277°C

    Flash point

    • 117.84 ˚C est.

  • Synonyms

    • 110516-60-4
    • 2(or 5)-Ethyl-4-hydroxy-5(or 2)-methyl-3(2H)-furanone
    • 2-ethyl-4-(hydroxymethyl)furan-3-one
    • 4-Hydroxy-2(or 5)-ethyl-5(or 2)-methyl-3(2H)-furanone
    • 3(2H)-Furanone, 2(or 5)-ethyl-4-hydroxy-5(or 2)-methyl-
    • 2-Ethyl-4-(hydroxymethyl)furan-3(2H)-one
    • SCHEMBL20269234
    • DTXSID40869532
    • KXYCNEIORCQEFU-UHFFFAOYSA-N
    • ethyl-4-hydroxymethyl- 3(2H)-Furanone
    • NS00123031

  • Applications

    2-Ethyl-4-(hydroxymethyl)furan-3-one (CAS 110516-60-4) is commonly used as an intermediate and building block in fragrance and flavor chemistry, enabling the synthesis of diverse fruity odorants. It is also used as a fragrance ingredient in cosmetics and personal care, and as a scent additive in household products. In coatings and inks, it can serve as an odor-active intermediate or precursor to functionalized furanone derivatives. In polymer and plastics development, it may act as a precursor for functionalized furanone-based materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 225.83
    methanol 475.66
    isopropanol 144.68
    water 33.33
    ethyl acetate 117.21
    n-propanol 151.57
    acetone 248.25
    n-butanol 117.2
    acetonitrile 258.08
    DMF 550.17
    toluene 35.15
    isobutanol 108.42
    1,4-dioxane 252.2
    methyl acetate 172.23
    THF 275.05
    2-butanone 151.3
    n-pentanol 101.43
    sec-butanol 113.52
    n-hexane 2.87
    ethylene glycol 259.72
    NMP 457.26
    cyclohexane 6.35
    DMSO 754.13
    n-butyl acetate 89.2
    n-octanol 74.61
    chloroform 461.25
    n-propyl acetate 99.49
    acetic acid 428.6
    dichloromethane 686.42
    cyclohexanone 217.85
    propylene glycol 150.91
    isopropyl acetate 73.15
    DMAc 325.68
    2-ethoxyethanol 268.28
    isopentanol 101.22
    n-heptane 5.47
    ethyl formate 199.75
    1,2-dichloroethane 304.77
    n-hexanol 82.79
    2-methoxyethanol 405.21
    isobutyl acetate 60.05
    tetrachloromethane 56.49
    n-pentyl acetate 73.72
    transcutol 341.57
    n-heptanol 60.91
    ethylbenzene 30.71
    MIBK 81.88
    2-propoxyethanol 194.38
    tert-butanol 165.62
    MTBE 72.08
    2-butoxyethanol 133.94
    propionic acid 213.61
    o-xylene 43.15
    formic acid 348.42
    diethyl ether 56.59
    m-xylene 40.42
    p-xylene 47.36
    chlorobenzene 117.56
    dimethyl carbonate 97.74
    n-octane 3.75
    formamide 430.37
    cyclopentanone 308.42
    2-pentanone 103.31
    anisole 105.76
    cyclopentyl methyl ether 90.4
    gamma-butyrolactone 475.8
    1-methoxy-2-propanol 234.08
    pyridine 191.41
    3-pentanone 81.1
    furfural 442.21
    n-dodecane 5.25
    diethylene glycol 264.55
    diisopropyl ether 20.64
    tert-amyl alcohol 119.74
    acetylacetone 163.0
    n-hexadecane 5.85
    acetophenone 129.88
    methyl propionate 123.39
    isopentyl acetate 75.09
    trichloroethylene 599.49
    n-nonanol 61.59
    cyclohexanol 88.57
    benzyl alcohol 125.03
    2-ethylhexanol 57.47
    isooctanol 53.93
    dipropyl ether 40.2
    1,2-dichlorobenzene 135.66
    ethyl lactate 95.14
    propylene carbonate 270.92
    n-methylformamide 378.37
    2-pentanol 64.78
    n-pentane 3.64
    1-propoxy-2-propanol 121.29
    1-methoxy-2-propyl acetate 101.25
    2-(2-methoxypropoxy) propanol 129.14
    mesitylene 32.12
    ε-caprolactone 213.55
    p-cymene 35.69
    epichlorohydrin 451.67
    1,1,1-trichloroethane 204.17
    2-aminoethanol 240.93
    morpholine-4-carbaldehyde 396.28
    sulfolane 633.13
    2,2,4-trimethylpentane 5.44
    2-methyltetrahydrofuran 158.19
    n-hexyl acetate 109.76
    isooctane 4.88
    2-(2-butoxyethoxy)ethanol 162.74
    sec-butyl acetate 58.26
    tert-butyl acetate 86.2
    decalin 7.4
    glycerin 271.12
    diglyme 305.44
    acrylic acid 260.03
    isopropyl myristate 45.82
    n-butyric acid 199.71
    acetyl acetate 101.41
    di(2-ethylhexyl) phthalate 62.11
    ethyl propionate 84.89
    nitromethane 662.82
    1,2-diethoxyethane 93.44
    benzonitrile 176.58
    trioctyl phosphate 48.53
    1-bromopropane 83.51
    gamma-valerolactone 393.51
    n-decanol 46.89
    triethyl phosphate 55.01
    4-methyl-2-pentanol 48.52
    propionitrile 164.85
    vinylene carbonate 277.06
    1,1,2-trichlorotrifluoroethane 364.53
    DMS 101.89
    cumene 31.55
    2-octanol 46.08
    2-hexanone 86.87
    octyl acetate 62.39
    limonene 47.02
    1,2-dimethoxyethane 273.34
    ethyl orthosilicate 46.32
    tributyl phosphate 50.96
    diacetone alcohol 138.68
    N,N-dimethylaniline 81.56
    acrylonitrile 276.21
    aniline 89.83
    1,3-propanediol 237.85
    bromobenzene 110.05
    dibromomethane 308.67
    1,1,2,2-tetrachloroethane 365.45
    2-methyl-cyclohexyl acetate 77.78
    tetrabutyl urea 71.22
    diisobutyl methanol 39.61
    2-phenylethanol 102.84
    styrene 39.4
    dioctyl adipate 76.53
    dimethyl sulfate 203.3
    ethyl butyrate 80.86
    methyl lactate 130.05
    butyl lactate 75.46
    diethyl carbonate 68.35
    propanediol butyl ether 134.55
    triethyl orthoformate 59.1
    p-tert-butyltoluene 32.65
    methyl 4-tert-butylbenzoate 126.94
    morpholine 236.5
    tert-butylamine 85.92
    n-dodecanol 37.27
    dimethoxymethane 224.29
    ethylene carbonate 202.67
    cyrene 162.77
    2-ethoxyethyl acetate 103.14
    2-ethylhexyl acetate 57.56
    1,2,4-trichlorobenzene 162.79
    4-methylpyridine 164.25
    dibutyl ether 45.62
    2,6-dimethyl-4-heptanol 39.61
    DEF 165.92
    dimethyl isosorbide 195.63
    tetrachloroethylene 247.1
    eugenol 133.42
    triacetin 130.72
    span 80 103.29
    1,4-butanediol 148.15
    1,1-dichloroethane 224.83
    2-methyl-1-pentanol 90.17
    methyl formate 349.09
    2-methyl-1-butanol 93.2
    n-decane 7.13
    butyronitrile 144.37
    3,7-dimethyl-1-octanol 65.93
    1-chlorooctane 41.63
    1-chlorotetradecane 17.7
    n-nonane 6.47
    undecane 5.95
    tert-butylcyclohexane 7.41
    cyclooctane 3.04
    cyclopentanol 136.91
    tetrahydropyran 111.77
    tert-amyl methyl ether 57.55
    2,5,8-trioxanonane 206.55
    1-hexene 14.55
    2-isopropoxyethanol 159.59
    2,2,2-trifluoroethanol 216.85
    methyl butyrate 128.19

    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