2-Ethyl-4-methoxy-5-methylfuran-3(2H)-one

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  • Identifiers

    CAS number
    85391-93-1

    Molecular formula
    C8H12O3

    SMILES
    CCC1C(=O)C(=C(O1)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 83.15%
    Fruity 79.03%
    Sweet 76.93%
    Burnt 54.31%
    Nutty 53.31%
    Roasted 47.36%
    Buttery 44.95%
    Coffee 40.8%
    Strawberry 34.53%
    Musty 32.82%

     

    Flavor
    Fruity 82.33%
    Sweet 71.2%
    Caramel 69.83%
    Maple 37.81%
    Sugar 36.82%
    Grape 36.58%
    Tobacco 33.91%
    Potato 29.76%
    Berry 28.87%
    Tropical 28.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.1 (neutral)

    Molecular weight
    156.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 78.06 ˚C est.

  • Synonyms

    • 2-Ethyl-4-methoxy-5-methylfuran-3(2H)-one
    • 85391-93-1
    • EINECS 286-850-5
    • SCHEMBL8904338
    • GIIVIXMJDFNNQY-UHFFFAOYSA-N
    • DTXSID801005875
    • NS00063470
    • 85391-93-1

  • Applications

    2-Ethyl-4-methoxy-5-methylfuran-3(2H)-one (CAS 85391-93-1) is primarily used as an aroma compound and fragrance intermediate, with applications in perfumery and flavor formulations where it contributes fruity and sweet notes. It is commonly evaluated as an odorant or fragrance component in cosmetics and personal care products, as well as in household products and air fresheners. In industrial manufacturing, it serves as an intermediate for synthesizing other furanone-based aroma chemicals and specialty aroma chemicals. It may also serve as a building block in fragrance development for coatings and inks where scent impact is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1036.35
    methanol 2044.95
    isopropanol 569.18
    water 73.93
    ethyl acetate 969.13
    n-propanol 742.45
    acetone 1261.45
    n-butanol 591.69
    acetonitrile 1956.92
    DMF 1515.75
    toluene 442.18
    isobutanol 482.07
    1,4-dioxane 1588.87
    methyl acetate 1121.95
    THF 1199.81
    2-butanone 783.61
    n-pentanol 488.11
    sec-butanol 509.12
    n-hexane 55.48
    ethylene glycol 725.61
    NMP 958.78
    cyclohexane 136.37
    DMSO 1308.25
    n-butyl acetate 523.13
    n-octanol 315.43
    chloroform 3734.72
    n-propyl acetate 599.42
    acetic acid 1792.6
    dichloromethane 4693.48
    cyclohexanone 1026.9
    propylene glycol 397.29
    isopropyl acetate 477.36
    DMAc 791.73
    2-ethoxyethanol 1214.34
    isopentanol 411.45
    n-heptane 58.41
    ethyl formate 1292.93
    1,2-dichloroethane 2112.22
    n-hexanol 388.22
    2-methoxyethanol 1830.46
    isobutyl acetate 293.37
    tetrachloromethane 787.73
    n-pentyl acetate 393.59
    transcutol 1170.6
    n-heptanol 260.34
    ethylbenzene 285.03
    MIBK 341.84
    2-propoxyethanol 856.58
    tert-butanol 553.67
    MTBE 372.06
    2-butoxyethanol 535.35
    propionic acid 893.72
    o-xylene 307.11
    formic acid 1490.62
    diethyl ether 607.46
    m-xylene 284.42
    p-xylene 400.32
    chlorobenzene 1020.4
    dimethyl carbonate 550.43
    n-octane 40.64
    formamide 1806.29
    cyclopentanone 1107.16
    2-pentanone 578.15
    anisole 635.8
    cyclopentyl methyl ether 507.81
    gamma-butyrolactone 1798.44
    1-methoxy-2-propanol 859.7
    pyridine 1587.25
    3-pentanone 505.59
    furfural 2177.56
    n-dodecane 38.76
    diethylene glycol 924.26
    diisopropyl ether 161.15
    tert-amyl alcohol 449.46
    acetylacetone 814.07
    n-hexadecane 44.22
    acetophenone 608.36
    methyl propionate 796.52
    isopentyl acetate 377.39
    trichloroethylene 4004.43
    n-nonanol 253.74
    cyclohexanol 533.24
    benzyl alcohol 709.38
    2-ethylhexanol 237.36
    isooctanol 207.53
    dipropyl ether 256.97
    1,2-dichlorobenzene 980.13
    ethyl lactate 380.82
    propylene carbonate 1062.53
    n-methylformamide 1682.45
    2-pentanol 334.15
    n-pentane 68.94
    1-propoxy-2-propanol 433.75
    1-methoxy-2-propyl acetate 434.64
    2-(2-methoxypropoxy) propanol 320.96
    mesitylene 205.85
    ε-caprolactone 1020.52
    p-cymene 193.36
    epichlorohydrin 2133.97
    1,1,1-trichloroethane 1718.58
    2-aminoethanol 846.07
    morpholine-4-carbaldehyde 1415.46
    sulfolane 1465.66
    2,2,4-trimethylpentane 40.73
    2-methyltetrahydrofuran 761.01
    n-hexyl acetate 523.86
    isooctane 31.26
    2-(2-butoxyethoxy)ethanol 496.23
    sec-butyl acetate 320.78
    tert-butyl acetate 413.98
    decalin 75.75
    glycerin 654.79
    diglyme 1164.99
    acrylic acid 1012.26
    isopropyl myristate 193.88
    n-butyric acid 979.62
    acetyl acetate 792.14
    di(2-ethylhexyl) phthalate 187.31
    ethyl propionate 551.32
    nitromethane 2764.24
    1,2-diethoxyethane 513.37
    benzonitrile 1190.28
    trioctyl phosphate 153.12
    1-bromopropane 732.99
    gamma-valerolactone 1656.27
    n-decanol 181.02
    triethyl phosphate 230.94
    4-methyl-2-pentanol 189.92
    propionitrile 1126.7
    vinylene carbonate 1341.19
    1,1,2-trichlorotrifluoroethane 1467.61
    DMS 491.41
    cumene 207.21
    2-octanol 212.18
    2-hexanone 429.58
    octyl acetate 259.39
    limonene 228.74
    1,2-dimethoxyethane 1429.74
    ethyl orthosilicate 201.2
    tributyl phosphate 181.42
    diacetone alcohol 436.27
    N,N-dimethylaniline 363.95
    acrylonitrile 1787.18
    aniline 644.92
    1,3-propanediol 944.83
    bromobenzene 1084.83
    dibromomethane 2438.64
    1,1,2,2-tetrachloroethane 2283.54
    2-methyl-cyclohexyl acetate 292.61
    tetrabutyl urea 220.54
    diisobutyl methanol 143.66
    2-phenylethanol 479.11
    styrene 410.47
    dioctyl adipate 275.9
    dimethyl sulfate 708.36
    ethyl butyrate 445.86
    methyl lactate 454.25
    butyl lactate 282.56
    diethyl carbonate 383.23
    propanediol butyl ether 430.47
    triethyl orthoformate 297.28
    p-tert-butyltoluene 173.65
    methyl 4-tert-butylbenzoate 408.39
    morpholine 1332.48
    tert-butylamine 357.2
    n-dodecanol 135.79
    dimethoxymethane 1128.89
    ethylene carbonate 1107.87
    cyrene 375.96
    2-ethoxyethyl acetate 500.35
    2-ethylhexyl acetate 301.89
    1,2,4-trichlorobenzene 1032.81
    4-methylpyridine 1228.01
    dibutyl ether 273.18
    2,6-dimethyl-4-heptanol 143.66
    DEF 714.52
    dimethyl isosorbide 543.33
    tetrachloroethylene 2079.45
    eugenol 453.98
    triacetin 478.07
    span 80 277.82
    1,4-butanediol 551.49
    1,1-dichloroethane 1714.51
    2-methyl-1-pentanol 384.38
    methyl formate 1799.38
    2-methyl-1-butanol 418.28
    n-decane 60.74
    butyronitrile 985.85
    3,7-dimethyl-1-octanol 236.29
    1-chlorooctane 242.36
    1-chlorotetradecane 97.86
    n-nonane 58.71
    undecane 46.9
    tert-butylcyclohexane 63.3
    cyclooctane 52.91
    cyclopentanol 608.99
    tetrahydropyran 814.12
    tert-amyl methyl ether 281.8
    2,5,8-trioxanonane 613.69
    1-hexene 188.61
    2-isopropoxyethanol 641.64
    2,2,2-trifluoroethanol 917.19
    methyl butyrate 729.39

    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