5-Methylfuran-3-one

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  • Identifiers

    CAS number
    3511-32-8

    Molecular formula
    C5H6O2

    SMILES
    CC1=CC(=O)CO1

  • Odor profile

    Fragrance
    Sweet 87.05%
    Caramellic 82.95%
    Nutty 69.64%
    Roasted 59.52%
    Burnt 58.44%
    Coumarinic 55.61%
    Buttery 54.56%
    Herbal 43.62%
    Hay 41.75%
    Fruity 40.43%

     

    Flavor
    Caramel 67.84%
    Fruity 66.23%
    Sweet 53.83%
    Tobacco 35.35%
    Maple 34.48%
    Sugar 33.28%
    Buttery 28.94%
    Fatty 28.48%
    Spice 28.33%
    Phenolic 25.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.79 (neutral)

    Molecular weight
    98.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 48.54 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 5-Methylfuran-3(2H)-one
    • 3511-32-8
    • 5-Methylfuran-3-one
    • 3(2H)-furanone, 5-methyl-
    • 5-METHYL-3(2H)-FURANONE
    • FEMA no. 4176
    • 5-Methyl-3(2H)-furanone [FHFI]
    • UNII-D0380N8E30
    • D0380N8E30
    • DTXSID30188608
    • 5-methyl-2,3-dihydrofuran-3-one
    • 5-Methylfuran-3(2H)-one;
    • 5-methyl-furan-3-one
    • 3(2H)-Furanone,5-methyl-
    • MFCD15143719
    • DTXCID50111099
    • AKOS022174770
    • AS-58431
    • DB-359093
    • CS-0092875
    • NS00120974
    • Y10351
    • Q27275917

  • Applications

    5-Methylfuran-3-one is primarily used as a reactive lactone building block in chemical synthesis; it is commonly evaluated as an intermediate in pharmaceutical and agrochemical routes, enabling ring opening and functionalization to access diverse heterocycles and fine chemicals. In the fragrance and flavor sector, the compound can serve as an odorant or aroma precursor, contributing fruity or caramel-like notes to formulations for perfumes and flavorings. In polymer and materials chemistry, it may be employed as a monomer or co-monomer or as a precursor to lactone-containing polymers and coatings, offering opportunities for controlled degradation and design flexibility. It also finds utility in research and development as a versatile reagent for generating derivatives and exploring lactone chemistry, while handling and use are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 654.24
    methanol 915.09
    isopropanol 510.96
    water 333.67
    ethyl acetate 268.86
    n-propanol 435.6
    acetone 640.56
    n-butanol 269.66
    acetonitrile 690.27
    DMF 1097.75
    toluene 70.75
    isobutanol 277.28
    1,4-dioxane 612.87
    methyl acetate 427.82
    THF 415.16
    2-butanone 330.42
    n-pentanol 142.43
    sec-butanol 356.56
    n-hexane 11.11
    ethylene glycol 550.15
    NMP 600.94
    cyclohexane 15.19
    DMSO 653.58
    n-butyl acetate 45.25
    n-octanol 73.13
    chloroform 526.05
    n-propyl acetate 80.74
    acetic acid 846.93
    dichloromethane 461.06
    cyclohexanone 212.28
    propylene glycol 558.76
    isopropyl acetate 106.87
    DMAc 879.5
    2-ethoxyethanol 397.34
    isopentanol 170.55
    n-heptane 8.67
    ethyl formate 189.83
    1,2-dichloroethane 208.12
    n-hexanol 95.1
    2-methoxyethanol 894.85
    isobutyl acetate 45.06
    tetrachloromethane 82.3
    n-pentyl acetate 43.33
    transcutol 636.09
    n-heptanol 52.64
    ethylbenzene 32.63
    MIBK 91.7
    2-propoxyethanol 241.49
    tert-butanol 436.71
    MTBE 173.09
    2-butoxyethanol 127.48
    propionic acid 447.57
    o-xylene 58.82
    formic acid 797.84
    diethyl ether 205.0
    m-xylene 56.01
    p-xylene 50.49
    chlorobenzene 92.18
    dimethyl carbonate 180.45
    n-octane 4.43
    formamide 978.73
    cyclopentanone 306.38
    2-pentanone 190.06
    anisole 150.48
    cyclopentyl methyl ether 168.12
    gamma-butyrolactone 396.96
    1-methoxy-2-propanol 568.13
    pyridine 311.03
    3-pentanone 161.6
    furfural 399.85
    n-dodecane 5.76
    diethylene glycol 347.39
    diisopropyl ether 41.16
    tert-amyl alcohol 298.51
    acetylacetone 246.11
    n-hexadecane 6.14
    acetophenone 119.65
    methyl propionate 285.86
    isopentyl acetate 42.89
    trichloroethylene 405.85
    n-nonanol 63.3
    cyclohexanol 184.98
    benzyl alcohol 141.5
    2-ethylhexanol 45.37
    isooctanol 40.3
    dipropyl ether 48.89
    1,2-dichlorobenzene 86.95
    ethyl lactate 93.17
    propylene carbonate 172.29
    n-methylformamide 680.42
    2-pentanol 172.33
    n-pentane 16.27
    1-propoxy-2-propanol 136.46
    1-methoxy-2-propyl acetate 101.41
    2-(2-methoxypropoxy) propanol 163.09
    mesitylene 30.45
    ε-caprolactone 197.15
    p-cymene 21.44
    epichlorohydrin 389.99
    1,1,1-trichloroethane 232.04
    2-aminoethanol 688.37
    morpholine-4-carbaldehyde 645.29
    sulfolane 318.72
    2,2,4-trimethylpentane 9.72
    2-methyltetrahydrofuran 285.1
    n-hexyl acetate 84.95
    isooctane 6.16
    2-(2-butoxyethoxy)ethanol 195.05
    sec-butyl acetate 54.89
    tert-butyl acetate 95.76
    decalin 9.97
    glycerin 653.6
    diglyme 331.63
    acrylic acid 452.07
    isopropyl myristate 37.56
    n-butyric acid 263.29
    acetyl acetate 167.75
    di(2-ethylhexyl) phthalate 43.43
    ethyl propionate 100.2
    nitromethane 1225.01
    1,2-diethoxyethane 108.16
    benzonitrile 127.58
    trioctyl phosphate 28.6
    1-bromopropane 102.32
    gamma-valerolactone 474.0
    n-decanol 45.64
    triethyl phosphate 39.83
    4-methyl-2-pentanol 76.77
    propionitrile 295.72
    vinylene carbonate 188.75
    1,1,2-trichlorotrifluoroethane 428.94
    DMS 105.5
    cumene 26.27
    2-octanol 39.04
    2-hexanone 86.08
    octyl acetate 50.8
    limonene 31.18
    1,2-dimethoxyethane 408.84
    ethyl orthosilicate 37.33
    tributyl phosphate 34.72
    diacetone alcohol 179.79
    N,N-dimethylaniline 96.69
    acrylonitrile 417.45
    aniline 195.8
    1,3-propanediol 531.06
    bromobenzene 72.08
    dibromomethane 241.46
    1,1,2,2-tetrachloroethane 297.59
    2-methyl-cyclohexyl acetate 46.66
    tetrabutyl urea 50.29
    diisobutyl methanol 29.78
    2-phenylethanol 87.56
    styrene 43.6
    dioctyl adipate 59.27
    dimethyl sulfate 256.38
    ethyl butyrate 51.62
    methyl lactate 237.37
    butyl lactate 54.74
    diethyl carbonate 45.84
    propanediol butyl ether 159.07
    triethyl orthoformate 44.18
    p-tert-butyltoluene 21.55
    methyl 4-tert-butylbenzoate 98.58
    morpholine 679.19
    tert-butylamine 213.47
    n-dodecanol 34.68
    dimethoxymethane 480.25
    ethylene carbonate 139.75
    cyrene 158.36
    2-ethoxyethyl acetate 88.93
    2-ethylhexyl acetate 31.87
    1,2,4-trichlorobenzene 122.22
    4-methylpyridine 263.68
    dibutyl ether 48.88
    2,6-dimethyl-4-heptanol 29.78
    DEF 282.71
    dimethyl isosorbide 178.04
    tetrachloroethylene 197.92
    eugenol 108.3
    triacetin 120.73
    span 80 113.62
    1,4-butanediol 219.93
    1,1-dichloroethane 299.37
    2-methyl-1-pentanol 101.41
    methyl formate 443.9
    2-methyl-1-butanol 192.34
    n-decane 8.53
    butyronitrile 187.53
    3,7-dimethyl-1-octanol 62.94
    1-chlorooctane 31.42
    1-chlorotetradecane 14.87
    n-nonane 7.69
    undecane 6.79
    tert-butylcyclohexane 9.99
    cyclooctane 5.22
    cyclopentanol 255.67
    tetrahydropyran 275.72
    tert-amyl methyl ether 128.65
    2,5,8-trioxanonane 259.46
    1-hexene 36.21
    2-isopropoxyethanol 210.18
    2,2,2-trifluoroethanol 437.29
    methyl butyrate 116.68

    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