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

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  • Identifiers

    CAS number
    114099-96-6

    Molecular formula
    C10H14O4

    SMILES
    CCCC(=O)OC1=C(OC(C1=O)C)C

  • Odor profile

    Fruity 93.96%
    Caramellic 81.73%
    Sweet 74.28%
    Tropical 54.18%
    Burnt 48.58%
    Buttery 47.7%
    Strawberry 46.11%
    Green 45.55%
    Berry 44.75%
    Nutty 42.05%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point est.
    119.95 ˚C

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 114099-96-6
    • 4-BUTYROXY-2,5-DIMETHYL-3(2H)-FURANONE
    • Butanoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester
    • furaneyl butyrate
    • 4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-yl Butyrate
    • FEMA No. 3970
    • (2,5-dimethyl-4-oxofuran-3-yl) butanoate
    • 2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate
    • 9DX0J398K6
    • 2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl butanoate
    • (+/-)-2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate
    • 2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate, (+/-)-
    • 4,5-DIHYDRO-2,5-DIMETHYL-4-OXO-3-FURANYL BUTYRATE
    • FRAISION BUTYRATE
    • 2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate [FIFH]
    • 2,5-DIMETHYL-3-OXO-(2H)-FUR-4-YL BUTYRATE [FHFI]
    • 2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate (FIFH)
    • UNII-9DX0J398K6
    • MFCD08457803
    • 4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanylbutyrate
    • SCHEMBL4301563
    • DTXSID70921273
    • JOLGAERKCZYHLF-UHFFFAOYSA-N
    • AKOS006290723
    • AS-71161
    • 2,5-Dimethyl-4-Butyroxy-3(2H)-Furanonee
    • 4-Butyryloxy-2,5-dimethyl-3(2H)-furanone
    • CS-0441176
    • D4451
    • NS00122597
    • D90292
    • 4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-ylButyrate
    • 2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl butyrate
    • 2,5-DIMETHYL-4-OXO-5H-FURAN-3-YL BUTANOATE
    • Q27272412
    • Butyric Acid 4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-yl
    • 601-298-0
    • 928-463-2

  • Applications

    2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate, CAS 114099-96-6, is a versatile furanone derivative whose dimethyl-substituted heterocycle and ester moiety make it a valuable building block in organic synthesis, serving as an intermediate for anti-inflammatory, antiviral and immunomodulatory drug candidates; in the flavor and fragrance industry its oxygen-rich ring provides a warm caramel-fruity nuance that deepens the profile of beverages, confectionery, and tobacco essences; in agrochemistry it is used to construct pyrazole- and triazole-based crop-protection agents, lowering production costs through high reaction yields; furthermore, its electron-rich scaffold is exploited as a functional monomer or comonomer in advanced polymers designed for enhanced oxidative stability and thermal endurance in high-performance coatings and electronic materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 496.72
    methanol 837.86
    isopropanol 397.67
    water 4.25
    ethyl acetate 761.56
    n-propanol 396.45
    acetone 1143.51
    n-butanol 423.57
    acetonitrile 927.06
    DMF 1353.21
    toluene 447.67
    isobutanol 324.16
    1,4-dioxane 954.59
    methyl acetate 752.27
    THF 1001.24
    2-butanone 751.07
    n-pentanol 321.99
    sec-butanol 399.52
    n-hexane 20.34
    ethylene glycol 133.59
    NMP 1197.13
    cyclohexane 54.09
    DMSO 1073.48
    n-butyl acetate 445.91
    n-octanol 114.96
    chloroform 2284.36
    n-propyl acetate 434.88
    acetic acid 1444.25
    dichloromethane 2359.96
    cyclohexanone 1046.37
    propylene glycol 122.34
    isopropyl acetate 454.22
    DMAc 1202.91
    2-ethoxyethanol 594.65
    isopentanol 414.59
    n-heptane 7.92
    ethyl formate 654.65
    1,2-dichloroethane 1329.0
    n-hexanol 227.48
    2-methoxyethanol 955.0
    isobutyl acetate 257.33
    tetrachloromethane 221.58
    n-pentyl acetate 248.54
    transcutol 1055.99
    n-heptanol 102.34
    ethylbenzene 241.63
    MIBK 325.18
    2-propoxyethanol 493.81
    tert-butanol 534.83
    MTBE 447.85
    2-butoxyethanol 270.26
    propionic acid 546.38
    o-xylene 274.18
    formic acid 654.74
    diethyl ether 422.1
    m-xylene 247.27
    p-xylene 337.7
    chlorobenzene 775.82
    dimethyl carbonate 343.27
    n-octane 6.82
    formamide 990.22
    cyclopentanone 1021.2
    2-pentanone 574.39
    anisole 489.61
    cyclopentyl methyl ether 448.0
    gamma-butyrolactone 1377.82
    1-methoxy-2-propanol 512.58
    pyridine 1179.46
    3-pentanone 439.59
    furfural 1420.68
    n-dodecane 9.06
    diethylene glycol 423.95
    diisopropyl ether 111.08
    tert-amyl alcohol 477.39
    acetylacetone 807.35
    n-hexadecane 10.83
    acetophenone 545.7
    methyl propionate 509.45
    isopentyl acetate 389.37
    trichloroethylene 2681.32
    n-nonanol 102.62
    cyclohexanol 503.74
    benzyl alcohol 508.37
    2-ethylhexanol 144.24
    isooctanol 90.19
    dipropyl ether 104.33
    1,2-dichlorobenzene 660.19
    ethyl lactate 193.72
    propylene carbonate 815.63
    n-methylformamide 795.77
    2-pentanol 276.82
    n-pentane 19.68
    1-propoxy-2-propanol 263.84
    1-methoxy-2-propyl acetate 352.0
    2-(2-methoxypropoxy) propanol 260.45
    mesitylene 141.71
    ε-caprolactone 944.45
    p-cymene 101.57
    epichlorohydrin 1535.48
    1,1,1-trichloroethane 994.09
    2-aminoethanol 253.67
    morpholine-4-carbaldehyde 1043.18
    sulfolane 1255.92
    2,2,4-trimethylpentane 22.41
    2-methyltetrahydrofuran 761.77
    n-hexyl acetate 348.54
    isooctane 12.43
    2-(2-butoxyethoxy)ethanol 340.01
    sec-butyl acetate 306.46
    tert-butyl acetate 402.39
    decalin 41.46
    glycerin 232.39
    diglyme 678.66
    acrylic acid 587.59
    isopropyl myristate 114.1
    n-butyric acid 803.73
    acetyl acetate 654.78
    di(2-ethylhexyl) phthalate 142.17
    ethyl propionate 375.29
    nitromethane 2042.25
    1,2-diethoxyethane 347.96
    benzonitrile 716.73
    trioctyl phosphate 89.28
    1-bromopropane 474.59
    gamma-valerolactone 1415.59
    n-decanol 72.97
    triethyl phosphate 151.64
    4-methyl-2-pentanol 154.35
    propionitrile 560.56
    vinylene carbonate 828.74
    1,1,2-trichlorotrifluoroethane 944.21
    DMS 398.05
    cumene 149.97
    2-octanol 82.46
    2-hexanone 346.71
    octyl acetate 152.65
    limonene 129.54
    1,2-dimethoxyethane 914.94
    ethyl orthosilicate 131.93
    tributyl phosphate 125.25
    diacetone alcohol 374.98
    N,N-dimethylaniline 305.98
    acrylonitrile 825.86
    aniline 598.97
    1,3-propanediol 470.01
    bromobenzene 839.37
    dibromomethane 1255.19
    1,1,2,2-tetrachloroethane 1832.37
    2-methyl-cyclohexyl acetate 225.03
    tetrabutyl urea 158.83
    diisobutyl methanol 80.73
    2-phenylethanol 343.43
    styrene 329.85
    dioctyl adipate 170.6
    dimethyl sulfate 503.3
    ethyl butyrate 265.94
    methyl lactate 271.23
    butyl lactate 193.29
    diethyl carbonate 220.63
    propanediol butyl ether 220.43
    triethyl orthoformate 177.04
    p-tert-butyltoluene 93.16
    methyl 4-tert-butylbenzoate 281.65
    morpholine 1020.93
    tert-butylamine 280.53
    n-dodecanol 55.29
    dimethoxymethane 649.69
    ethylene carbonate 701.34
    cyrene 318.14
    2-ethoxyethyl acetate 358.73
    2-ethylhexyl acetate 305.66
    1,2,4-trichlorobenzene 763.32
    4-methylpyridine 1295.36
    dibutyl ether 142.83
    2,6-dimethyl-4-heptanol 80.73
    DEF 725.95
    dimethyl isosorbide 447.61
    tetrachloroethylene 1219.31
    eugenol 302.36
    triacetin 315.7
    span 80 197.65
    1,4-butanediol 193.03
    1,1-dichloroethane 1165.75
    2-methyl-1-pentanol 362.59
    methyl formate 749.8
    2-methyl-1-butanol 416.13
    n-decane 13.23
    butyronitrile 583.8
    3,7-dimethyl-1-octanol 131.17
    1-chlorooctane 84.38
    1-chlorotetradecane 36.41
    n-nonane 10.99
    undecane 10.73
    tert-butylcyclohexane 30.09
    cyclooctane 15.06
    cyclopentanol 447.73
    tetrahydropyran 745.02
    tert-amyl methyl ether 346.75
    2,5,8-trioxanonane 409.84
    1-hexene 121.53
    2-isopropoxyethanol 371.48
    2,2,2-trifluoroethanol 507.68
    methyl butyrate 557.13

    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