2(5H)-Furanone, 4-methyl-

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  • Identifiers

    CAS number
    6124-79-4

    Molecular formula
    C5H6O2

    SMILES
    CC1=CC(=O)OC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 78.98%
    Caramellic 72.54%
    Nutty 58.62%
    Coumarinic 56.82%
    Burnt 50.36%
    Tobacco 45.79%
    Coconut 44.74%
    Buttery 41.78%
    Roasted 40.82%
    Hay 40.02%

     

    Flavor
    Caramel 59.17%
    Fruity 56.24%
    Sweet 41.5%
    Tobacco 34.48%
    Maple 34.16%
    Spice 32.83%
    Sugar 30.77%
    Phenolic 29.12%
    Fatty 28.31%
    Buttery 23.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    8.51 (weak base)

    Molecular weight
    98.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    233°C

    Flash point

    • 64.47 ˚C est.

  • Synonyms

    • 4-Methyl-2(5H)-furanone
    • 6124-79-4
    • 3-methyl-2H-furan-5-one
    • 2(5H)-Furanone, 4-methyl-
    • DTXSID60210148
    • RefChem:439910
    • DTXCID60132639
    • 672-636-2
    • 4-Methylfuran-2(5H)-one
    • 4-Methyl-5H-furan-2-one
    • 4-methyl-2,5-dihydrofuran-2-one
    • MFCD00191546
    • 3-methyl-2H-uran-5-one
    • 4-Hydroxy-3-methyl-2-butenoic Acid gamma-Lactone
    • SCHEMBL908245
    • 4-Methyl-2(5H)-furanone #
    • CHEBI:167068
    • ZB1098
    • AKOS015996769
    • SB61224
    • FM149478
    • SY053330
    • CS-0205200
    • M1079
    • EN300-99428
    • C16080
    • 124M794
    • F243243
    • 6124-79-4

  • Applications

    Chemical name: 2(5H)-Furanone, 4-methyl- is valued as a fragrance ingredient in perfumery and as a flavor intermediate in food formulations, typically contributing fruity, sweet notes; it is also used in cosmetics and personal care products to provide aroma, and in household products such as cleaners and air fresheners for scent enhancement; in industrial manufacturing it serves as an organic synthesis intermediate, enabling the synthesis of other aroma compounds and related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 718.19
    methanol 954.7
    isopropanol 481.98
    water 102.49
    ethyl acetate 264.45
    n-propanol 422.08
    acetone 361.37
    n-butanol 357.55
    acetonitrile 377.32
    DMF 532.21
    toluene 34.92
    isobutanol 268.69
    1,4-dioxane 351.87
    methyl acetate 291.77
    THF 360.02
    2-butanone 254.71
    n-pentanol 229.33
    sec-butanol 419.32
    n-hexane 12.68
    ethylene glycol 346.36
    NMP 417.16
    cyclohexane 9.58
    DMSO 342.72
    n-butyl acetate 108.64
    n-octanol 150.59
    chloroform 354.29
    n-propyl acetate 134.23
    acetic acid 1540.67
    dichloromethane 306.86
    cyclohexanone 187.98
    propylene glycol 431.22
    isopropyl acetate 140.35
    DMAc 382.42
    2-ethoxyethanol 392.29
    isopentanol 245.83
    n-heptane 11.13
    ethyl formate 189.13
    1,2-dichloroethane 155.01
    n-hexanol 198.15
    2-methoxyethanol 721.39
    isobutyl acetate 78.46
    tetrachloromethane 31.61
    n-pentyl acetate 85.45
    transcutol 953.79
    n-heptanol 110.24
    ethylbenzene 33.56
    MIBK 130.83
    2-propoxyethanol 344.17
    tert-butanol 421.28
    MTBE 188.81
    2-butoxyethanol 208.63
    propionic acid 459.35
    o-xylene 39.49
    formic acid 793.34
    diethyl ether 193.2
    m-xylene 41.12
    p-xylene 46.19
    chlorobenzene 79.91
    dimethyl carbonate 127.4
    n-octane 6.19
    formamide 741.52
    cyclopentanone 256.04
    2-pentanone 208.31
    anisole 144.05
    cyclopentyl methyl ether 145.87
    gamma-butyrolactone 347.08
    1-methoxy-2-propanol 532.15
    pyridine 179.7
    3-pentanone 127.68
    furfural 362.18
    n-dodecane 8.14
    diethylene glycol 394.39
    diisopropyl ether 50.78
    tert-amyl alcohol 387.84
    acetylacetone 239.57
    n-hexadecane 8.46
    acetophenone 144.99
    methyl propionate 210.24
    isopentyl acetate 100.6
    trichloroethylene 339.27
    n-nonanol 123.77
    cyclohexanol 183.14
    benzyl alcohol 147.72
    2-ethylhexanol 100.34
    isooctanol 87.69
    dipropyl ether 70.69
    1,2-dichlorobenzene 89.82
    ethyl lactate 132.7
    propylene carbonate 228.29
    n-methylformamide 404.69
    2-pentanol 262.06
    n-pentane 15.38
    1-propoxy-2-propanol 223.96
    1-methoxy-2-propyl acetate 149.41
    2-(2-methoxypropoxy) propanol 245.69
    mesitylene 28.46
    ε-caprolactone 214.65
    p-cymene 29.68
    epichlorohydrin 334.2
    1,1,1-trichloroethane 134.08
    2-aminoethanol 531.69
    morpholine-4-carbaldehyde 447.82
    sulfolane 331.27
    2,2,4-trimethylpentane 12.45
    2-methyltetrahydrofuran 269.59
    n-hexyl acetate 178.27
    isooctane 10.1
    2-(2-butoxyethoxy)ethanol 355.87
    sec-butyl acetate 93.91
    tert-butyl acetate 161.29
    decalin 10.32
    glycerin 540.63
    diglyme 442.19
    acrylic acid 496.94
    isopropyl myristate 68.39
    n-butyric acid 417.86
    acetyl acetate 192.1
    di(2-ethylhexyl) phthalate 78.76
    ethyl propionate 136.71
    nitromethane 1103.34
    1,2-diethoxyethane 158.22
    benzonitrile 129.7
    trioctyl phosphate 59.09
    1-bromopropane 85.11
    gamma-valerolactone 371.62
    n-decanol 92.2
    triethyl phosphate 58.57
    4-methyl-2-pentanol 138.91
    propionitrile 204.24
    vinylene carbonate 224.88
    1,1,2-trichlorotrifluoroethane 386.63
    DMS 140.48
    cumene 33.34
    2-octanol 86.55
    2-hexanone 141.18
    octyl acetate 97.26
    limonene 42.57
    1,2-dimethoxyethane 365.51
    ethyl orthosilicate 52.97
    tributyl phosphate 69.93
    diacetone alcohol 279.06
    N,N-dimethylaniline 98.2
    acrylonitrile 272.76
    aniline 120.65
    1,3-propanediol 536.05
    bromobenzene 57.19
    dibromomethane 157.32
    1,1,2,2-tetrachloroethane 260.4
    2-methyl-cyclohexyl acetate 88.3
    tetrabutyl urea 86.12
    diisobutyl methanol 56.88
    2-phenylethanol 137.41
    styrene 39.68
    dioctyl adipate 99.37
    dimethyl sulfate 173.59
    ethyl butyrate 94.21
    methyl lactate 208.2
    butyl lactate 109.29
    diethyl carbonate 75.78
    propanediol butyl ether 295.1
    triethyl orthoformate 69.81
    p-tert-butyltoluene 29.71
    methyl 4-tert-butylbenzoate 149.95
    morpholine 425.31
    tert-butylamine 219.71
    n-dodecanol 68.3
    dimethoxymethane 294.89
    ethylene carbonate 161.88
    cyrene 206.62
    2-ethoxyethyl acetate 137.25
    2-ethylhexyl acetate 71.19
    1,2,4-trichlorobenzene 120.71
    4-methylpyridine 176.9
    dibutyl ether 87.89
    2,6-dimethyl-4-heptanol 56.88
    DEF 228.74
    dimethyl isosorbide 254.26
    tetrachloroethylene 147.21
    eugenol 184.25
    triacetin 182.81
    span 80 207.21
    1,4-butanediol 221.01
    1,1-dichloroethane 179.66
    2-methyl-1-pentanol 194.91
    methyl formate 294.42
    2-methyl-1-butanol 258.41
    n-decane 11.92
    butyronitrile 184.53
    3,7-dimethyl-1-octanol 131.37
    1-chlorooctane 50.4
    1-chlorotetradecane 22.38
    n-nonane 10.83
    undecane 9.65
    tert-butylcyclohexane 12.66
    cyclooctane 4.51
    cyclopentanol 218.37
    tetrahydropyran 201.82
    tert-amyl methyl ether 153.93
    2,5,8-trioxanonane 346.82
    1-hexene 48.88
    2-isopropoxyethanol 255.11
    2,2,2-trifluoroethanol 466.24
    methyl butyrate 167.06

    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