4-Acetyl-2,5-dimethyl-3(2H)-furanone

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  • Identifiers

    CAS number
    36871-78-0

    Molecular formula
    C8H10O3

    SMILES
    CC1C(=O)C(=C(O1)C)C(=O)C

  • Odor profile

    Fragrance
    Fruity 86.85%
    Caramellic 83.87%
    Burnt 60.85%
    Sweet 60.69%
    Roasted 43.44%
    Nutty 41.51%
    Buttery 40.06%
    Berry 39.23%
    Strawberry 37.82%
    Tropical 35.36%

     

    Flavor
    Fruity 70.49%
    Caramel 68.84%
    Sweet 65.32%
    Sugar 41.59%
    Maple 37.58%
    Tobacco 36.69%
    Buttery 31.76%
    Grape 31.22%
    Brown 29.98%
    Creamy 28.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.89 (neutral)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 88.5 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 4-Acetyl-2,5-dimethylfuran-3(2H)-one
    • 36871-78-0
    • 4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE
    • 4-acetyl-2,5-dimethylfuran-3-one
    • UNII-Y1BRB2IA9F
    • Y1BRB2IA9F
    • FEMA NO. 4070
    • DTXSID00958072
    • 4-acetyl-2,5-dimethyl-2,3-dihydrofuran-3-one
    • 3(2H)-FURANONE, 4-ACETYL-2,5-DIMETHYL-
    • 4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE [FHFI]
    • 4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE, (+/-)-
    • SCHEMBL18339975
    • DTXCID701385989
    • AKOS016005715
    • SB61938
    • DB-367274
    • NS00124274
    • Q27294136

  • Applications

    4-Acetyl-2,5-dimethyl-3(2H)-furanone (CAS 36871-78-0) is primarily used as an odorant and fragrance intermediate in cosmetics, perfumery, and personal care products; it may also serve as a flavor precursor in the food industry where aroma development is pursued. It is commonly employed to provide fruity or caramel-like baselines in fragrance formulations and as an intermediate for synthesizing more complex fragrance compounds. In industrial manufacturing and consumer products, it can appear as a scent-active component in household cleaners and other consumer goods, subject to regulatory and formulation limits. As a furanone derivative, its use is typically restricted to controlled concentrations within approved formulations and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.22
    methanol 384.03
    isopropanol 185.88
    water 28.61
    ethyl acetate 527.06
    n-propanol 213.14
    acetone 632.67
    n-butanol 197.67
    acetonitrile 788.21
    DMF 998.9
    toluene 240.75
    isobutanol 152.4
    1,4-dioxane 875.25
    methyl acetate 564.46
    THF 1196.18
    2-butanone 387.61
    n-pentanol 146.61
    sec-butanol 179.07
    n-hexane 51.55
    ethylene glycol 209.76
    NMP 996.46
    cyclohexane 65.91
    DMSO 875.32
    n-butyl acetate 165.91
    n-octanol 99.64
    chloroform 1027.89
    n-propyl acetate 214.16
    acetic acid 526.16
    dichloromethane 1279.79
    cyclohexanone 538.06
    propylene glycol 142.02
    isopropyl acetate 274.63
    DMAc 706.2
    2-ethoxyethanol 389.18
    isopentanol 156.41
    n-heptane 26.8
    ethyl formate 367.96
    1,2-dichloroethane 719.55
    n-hexanol 141.92
    2-methoxyethanol 730.07
    isobutyl acetate 123.85
    tetrachloromethane 194.7
    n-pentyl acetate 121.09
    transcutol 500.08
    n-heptanol 73.73
    ethylbenzene 129.69
    MIBK 225.97
    2-propoxyethanol 412.56
    tert-butanol 250.43
    MTBE 238.75
    2-butoxyethanol 162.01
    propionic acid 314.53
    o-xylene 159.19
    formic acid 344.98
    diethyl ether 353.5
    m-xylene 196.02
    p-xylene 161.9
    chlorobenzene 363.48
    dimethyl carbonate 343.55
    n-octane 14.99
    formamide 481.75
    cyclopentanone 832.84
    2-pentanone 366.86
    anisole 326.83
    cyclopentyl methyl ether 530.51
    gamma-butyrolactone 1189.02
    1-methoxy-2-propanol 468.0
    pyridine 529.85
    3-pentanone 314.8
    furfural 887.06
    n-dodecane 16.23
    diethylene glycol 440.34
    diisopropyl ether 119.96
    tert-amyl alcohol 204.78
    acetylacetone 634.98
    n-hexadecane 19.11
    acetophenone 261.36
    methyl propionate 481.86
    isopentyl acetate 141.49
    trichloroethylene 1168.79
    n-nonanol 88.84
    cyclohexanol 245.38
    benzyl alcohol 222.69
    2-ethylhexanol 89.42
    isooctanol 64.1
    dipropyl ether 138.12
    1,2-dichlorobenzene 345.46
    ethyl lactate 157.34
    propylene carbonate 502.37
    n-methylformamide 575.91
    2-pentanol 144.53
    n-pentane 41.34
    1-propoxy-2-propanol 215.15
    1-methoxy-2-propyl acetate 245.8
    2-(2-methoxypropoxy) propanol 177.59
    mesitylene 132.01
    ε-caprolactone 491.64
    p-cymene 69.05
    epichlorohydrin 1104.36
    1,1,1-trichloroethane 601.99
    2-aminoethanol 233.04
    morpholine-4-carbaldehyde 870.61
    sulfolane 1130.48
    2,2,4-trimethylpentane 25.77
    2-methyltetrahydrofuran 654.04
    n-hexyl acetate 206.36
    isooctane 21.58
    2-(2-butoxyethoxy)ethanol 224.05
    sec-butyl acetate 148.06
    tert-butyl acetate 283.85
    decalin 49.49
    glycerin 300.77
    diglyme 418.73
    acrylic acid 363.66
    isopropyl myristate 94.49
    n-butyric acid 335.66
    acetyl acetate 409.97
    di(2-ethylhexyl) phthalate 88.84
    ethyl propionate 277.07
    nitromethane 1339.85
    1,2-diethoxyethane 170.14
    benzonitrile 321.84
    trioctyl phosphate 70.89
    1-bromopropane 317.83
    gamma-valerolactone 911.69
    n-decanol 67.7
    triethyl phosphate 117.73
    4-methyl-2-pentanol 94.41
    propionitrile 380.42
    vinylene carbonate 505.64
    1,1,2-trichlorotrifluoroethane 628.07
    DMS 249.45
    cumene 94.94
    2-octanol 65.14
    2-hexanone 201.64
    octyl acetate 117.79
    limonene 92.26
    1,2-dimethoxyethane 650.52
    ethyl orthosilicate 107.27
    tributyl phosphate 88.23
    diacetone alcohol 298.36
    N,N-dimethylaniline 211.41
    acrylonitrile 584.28
    aniline 266.3
    1,3-propanediol 307.08
    bromobenzene 382.64
    dibromomethane 745.17
    1,1,2,2-tetrachloroethane 754.9
    2-methyl-cyclohexyl acetate 139.03
    tetrabutyl urea 118.99
    diisobutyl methanol 62.84
    2-phenylethanol 189.39
    styrene 164.23
    dioctyl adipate 131.37
    dimethyl sulfate 585.08
    ethyl butyrate 166.42
    methyl lactate 276.92
    butyl lactate 100.42
    diethyl carbonate 133.51
    propanediol butyl ether 155.37
    triethyl orthoformate 119.86
    p-tert-butyltoluene 71.66
    methyl 4-tert-butylbenzoate 202.15
    morpholine 763.56
    tert-butylamine 152.87
    n-dodecanol 54.53
    dimethoxymethane 800.19
    ethylene carbonate 399.99
    cyrene 249.39
    2-ethoxyethyl acetate 177.62
    2-ethylhexyl acetate 115.61
    1,2,4-trichlorobenzene 374.59
    4-methylpyridine 519.25
    dibutyl ether 109.8
    2,6-dimethyl-4-heptanol 62.84
    DEF 441.66
    dimethyl isosorbide 353.79
    tetrachloroethylene 542.05
    eugenol 204.48
    triacetin 212.97
    span 80 137.95
    1,4-butanediol 141.6
    1,1-dichloroethane 566.77
    2-methyl-1-pentanol 131.56
    methyl formate 613.06
    2-methyl-1-butanol 156.09
    n-decane 23.63
    butyronitrile 315.54
    3,7-dimethyl-1-octanol 94.57
    1-chlorooctane 87.47
    1-chlorotetradecane 43.09
    n-nonane 22.78
    undecane 19.49
    tert-butylcyclohexane 43.1
    cyclooctane 30.97
    cyclopentanol 318.39
    tetrahydropyran 528.89
    tert-amyl methyl ether 208.14
    2,5,8-trioxanonane 302.95
    1-hexene 114.89
    2-isopropoxyethanol 228.69
    2,2,2-trifluoroethanol 326.42
    methyl butyrate 307.8

    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