2-Acetyl-3,5-dimethylfuran

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  • Identifiers

    CAS number
    22940-86-9

    Molecular formula
    C8H10O2

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

  • Odor profile

    Fragrance
    Sweet 72.79%
    Nutty 70.27%
    Roasted 63.69%
    Caramellic 61.68%
    Musty 43.4%
    Burnt 41.68%
    Coumarinic 41.49%
    Hay 41.3%
    Earthy 37.53%
    Almond 37.35%

     

    Flavor
    Nutty 54.25%
    Sweet 48.15%
    Musty 47.85%
    Earthy 45.82%
    Burnt 44.28%
    Roasted 43.17%
    Cocoa 40.96%
    Coffee 37.65%
    Potato 36.93%
    Woody 34.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.06 (neutral)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 17.00 to 18.00 °C. @ 760.00 mm Hg

    Boiling point

    • 195.00 to 198.00 °C. @ 760.00 mm Hg

    Flash point

    • 57.19 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1-(3,5-dimethylfuran-2-yl)ethanone
    • 22940-86-9
    • 2-Acetyl-3,5-dimethylfuran
    • ethanone, 1-(3,5-dimethyl-2-furanyl)-
    • 1-(3,5-Dimethyl-2-furyl)ethanone
    • FEMA No. 4071
    • 1-(3,5-dimethylfuran-2-yl)ethan-1-one
    • 1MFL8Z7ZBB
    • Ketone, 3,5-dimethyl-2-furyl methyl
    • 3,5-Dimethyl-2-furyl methyl ketone
    • MFCD00052576
    • DTXSID20177485
    • 2-ACETYL-3,5-DIMETHYLFURAN [FHFI]
    • UNII-1MFL8Z7ZBB
    • 2-Acetyl-3,5-dimethyl furan
    • SCHEMBL9590560
    • DTXCID2099976
    • SQWQZVDNBPEROH-UHFFFAOYSA-
    • CHEBI:179264
    • 1-(3,5-dimethyluran-2-yl)ethanone
    • AKOS006274859
    • CS-W021212
    • DS-5327
    • SB61064
    • 1-(3,5-Dimethyl-2-furyl)ethanone #
    • DB-336684
    • NS00021880
    • 1-(3 pound not5-Dimethylfuran-2-yl)ethanone
    • C74181
    • EN300-325194
    • Q27252610
    • InChI=1/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
    • 607-185-2

  • Applications

    2-Acetyl-3,5-dimethylfuran, CAS number: 22940-86-9, is commonly used as an aroma ingredient in perfumery and flavor formulations, contributing roasted and nutty notes; it is also employed in cosmetics and personal care as a fragrance component, in household products such as air fresheners and cleaners for scent enhancement, and may be used as a fragrance constituent or intermediate in coatings and inks. In industrial manufacturing, it can serve as a chemical intermediate for fragrance synthesis and related flavor or aroma additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2157.56
    methanol 3646.83
    isopropanol 1605.63
    water 108.14
    ethyl acetate 1691.07
    n-propanol 1871.85
    acetone 2229.17
    n-butanol 1683.21
    acetonitrile 2263.74
    DMF 2931.33
    toluene 1053.2
    isobutanol 1461.5
    1,4-dioxane 3381.4
    methyl acetate 1651.5
    THF 3947.36
    2-butanone 1573.02
    n-pentanol 1149.78
    sec-butanol 1544.76
    n-hexane 546.51
    ethylene glycol 1043.29
    NMP 2020.49
    cyclohexane 607.94
    DMSO 1927.22
    n-butyl acetate 762.62
    n-octanol 713.29
    chloroform 3933.06
    n-propyl acetate 848.49
    acetic acid 1502.64
    dichloromethane 4475.51
    cyclohexanone 1937.55
    propylene glycol 777.02
    isopropyl acetate 920.97
    DMAc 1921.8
    2-ethoxyethanol 1981.27
    isopentanol 1253.05
    n-heptane 262.32
    ethyl formate 1169.01
    1,2-dichloroethane 2466.34
    n-hexanol 1137.37
    2-methoxyethanol 3332.23
    isobutyl acetate 510.87
    tetrachloromethane 964.96
    n-pentyl acetate 629.97
    transcutol 2130.03
    n-heptanol 538.71
    ethylbenzene 606.72
    MIBK 929.08
    2-propoxyethanol 1990.44
    tert-butanol 1736.57
    MTBE 1698.87
    2-butoxyethanol 844.02
    propionic acid 1121.77
    o-xylene 675.39
    formic acid 1056.84
    diethyl ether 2282.8
    m-xylene 785.87
    p-xylene 744.83
    chlorobenzene 1220.09
    dimethyl carbonate 852.38
    n-octane 143.05
    formamide 1091.59
    cyclopentanone 2217.63
    2-pentanone 1521.92
    anisole 1165.83
    cyclopentyl methyl ether 2146.98
    gamma-butyrolactone 2515.96
    1-methoxy-2-propanol 2126.41
    pyridine 1547.26
    3-pentanone 1200.93
    furfural 1865.93
    n-dodecane 118.79
    diethylene glycol 1700.15
    diisopropyl ether 700.56
    tert-amyl alcohol 1533.04
    acetylacetone 1503.46
    n-hexadecane 133.64
    acetophenone 789.88
    methyl propionate 1458.88
    isopentyl acetate 641.3
    trichloroethylene 3280.35
    n-nonanol 558.83
    cyclohexanol 1479.07
    benzyl alcohol 851.22
    2-ethylhexanol 593.95
    isooctanol 422.9
    dipropyl ether 810.47
    1,2-dichlorobenzene 1056.21
    ethyl lactate 467.47
    propylene carbonate 1165.63
    n-methylformamide 1812.83
    2-pentanol 1143.87
    n-pentane 449.36
    1-propoxy-2-propanol 981.91
    1-methoxy-2-propyl acetate 777.65
    2-(2-methoxypropoxy) propanol 583.64
    mesitylene 544.85
    ε-caprolactone 1624.1
    p-cymene 301.66
    epichlorohydrin 3089.02
    1,1,1-trichloroethane 2014.63
    2-aminoethanol 1320.04
    morpholine-4-carbaldehyde 2435.42
    sulfolane 2209.06
    2,2,4-trimethylpentane 240.91
    2-methyltetrahydrofuran 2707.46
    n-hexyl acetate 1006.35
    isooctane 185.51
    2-(2-butoxyethoxy)ethanol 835.87
    sec-butyl acetate 555.9
    tert-butyl acetate 965.97
    decalin 286.65
    glycerin 1127.54
    diglyme 1632.13
    acrylic acid 1001.58
    isopropyl myristate 354.23
    n-butyric acid 1314.27
    acetyl acetate 959.11
    di(2-ethylhexyl) phthalate 281.49
    ethyl propionate 916.5
    nitromethane 2432.39
    1,2-diethoxyethane 929.82
    benzonitrile 990.15
    trioctyl phosphate 255.3
    1-bromopropane 1588.88
    gamma-valerolactone 2593.23
    n-decanol 394.15
    triethyl phosphate 317.55
    4-methyl-2-pentanol 648.35
    propionitrile 1611.87
    vinylene carbonate 1194.72
    1,1,2-trichlorotrifluoroethane 1438.2
    DMS 751.24
    cumene 436.11
    2-octanol 474.17
    2-hexanone 907.52
    octyl acetate 461.14
    limonene 446.61
    1,2-dimethoxyethane 2762.19
    ethyl orthosilicate 326.19
    tributyl phosphate 296.58
    diacetone alcohol 995.52
    N,N-dimethylaniline 761.34
    acrylonitrile 1751.08
    aniline 986.63
    1,3-propanediol 1747.04
    bromobenzene 1261.0
    dibromomethane 2926.85
    1,1,2,2-tetrachloroethane 2451.69
    2-methyl-cyclohexyl acetate 453.5
    tetrabutyl urea 367.71
    diisobutyl methanol 318.84
    2-phenylethanol 731.95
    styrene 729.88
    dioctyl adipate 411.01
    dimethyl sulfate 1092.17
    ethyl butyrate 614.38
    methyl lactate 729.04
    butyl lactate 407.71
    diethyl carbonate 411.78
    propanediol butyl ether 750.27
    triethyl orthoformate 418.89
    p-tert-butyltoluene 320.91
    methyl 4-tert-butylbenzoate 658.26
    morpholine 3107.97
    tert-butylamine 1261.96
    n-dodecanol 294.82
    dimethoxymethane 2692.82
    ethylene carbonate 1128.98
    cyrene 616.8
    2-ethoxyethyl acetate 761.48
    2-ethylhexyl acetate 511.06
    1,2,4-trichlorobenzene 1068.15
    4-methylpyridine 1739.75
    dibutyl ether 695.86
    2,6-dimethyl-4-heptanol 318.84
    DEF 1694.28
    dimethyl isosorbide 939.62
    tetrachloroethylene 1911.86
    eugenol 609.24
    triacetin 603.53
    span 80 482.76
    1,4-butanediol 894.58
    1,1-dichloroethane 2316.7
    2-methyl-1-pentanol 965.58
    methyl formate 1677.46
    2-methyl-1-butanol 1388.27
    n-decane 190.75
    butyronitrile 1554.25
    3,7-dimethyl-1-octanol 548.63
    1-chlorooctane 578.13
    1-chlorotetradecane 229.71
    n-nonane 210.37
    undecane 145.01
    tert-butylcyclohexane 287.58
    cyclooctane 270.69
    cyclopentanol 1584.59
    tetrahydropyran 2619.48
    tert-amyl methyl ether 1377.39
    2,5,8-trioxanonane 936.61
    1-hexene 989.61
    2-isopropoxyethanol 1183.85
    2,2,2-trifluoroethanol 696.3
    methyl butyrate 1108.17

    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