Ethyl 2,5-dimethyl-3-oxo-4(2H)-furyl carbonate

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  • Identifiers

    CAS number
    102062-72-6

    Molecular formula
    C9H12O5

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

  • Odor profile

    Fragrance
    Caramellic 62.85%
    Fruity 50.83%
    Burnt 46.06%
    Sweet 38.85%
    Winey 34.89%
    Tropical 33.14%
    Roasted 30.42%
    Buttery 28.88%
    Ethereal 27.54%
    Creamy 26.62%

     

    Flavor
    Fruity 86.5%
    Caramel 43.78%
    Grape 43.77%
    Sweet 42.16%
    Tropical 32.41%
    Berry 29.96%
    Strawberry 26.33%
    Sugar 26.0%
    Toffee 24.8%
    Buttery 24.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.3 (neutral)

    Molecular weight
    200.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 122.86 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 2,5-Dimethyl-3-oxo-4(2H)-furyl carbonate
    • FEMA No. 4546
    • 3510MR2ARP
    • UNII-3510MR2ARP
    • (+/-)-Ethyl 2,5-dimethyl-3-oxo-4(2H)-furyl carbonate
    • 102062-72-6
    • Ethyl 2,5-dimethyl-3-oxo-4(2H)-furyl carbonate, (+/-)-
    • Carbonic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ethyl ester
    • SCHEMBL10413813
    • 2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl ethyl carbonate
    • DTXSID50959953
    • AVJSAOBNPIMLKX-UHFFFAOYSA-N
    • Q27256404

  • Applications

    Ethyl 2,5-dimethyl-3-oxo-4(2H)-furyl carbonate is primarily used as a reactive intermediate in organic synthesis, enabling access to functionalized furyl compounds. It is explored as a potential monomer or comonomer in specialty polymers and polycarbonates through ring-opening polymerization or related routes, offering defined chain functionality. In formulation and processing, it may function as a processing solvent or reactive diluent and as a crosslinking/functionalization agent in coatings, inks, and adhesive systems. The compound can also serve as a fragrance-related building block or odorant precursor in perfumery and flavor-related applications where furan-containing fragments are valued. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.31
    methanol 329.53
    isopropanol 151.39
    water 3.12
    ethyl acetate 382.4
    n-propanol 147.9
    acetone 574.04
    n-butanol 151.91
    acetonitrile 409.61
    DMF 1023.92
    toluene 281.34
    isobutanol 122.92
    1,4-dioxane 639.42
    methyl acetate 467.13
    THF 683.22
    2-butanone 410.9
    n-pentanol 130.17
    sec-butanol 166.02
    n-hexane 14.2
    ethylene glycol 60.54
    NMP 1008.0
    cyclohexane 31.0
    DMSO 982.48
    n-butyl acetate 197.37
    n-octanol 42.69
    chloroform 846.63
    n-propyl acetate 214.59
    acetic acid 534.13
    dichloromethane 1055.64
    cyclohexanone 552.02
    propylene glycol 41.19
    isopropyl acetate 222.09
    DMAc 1054.61
    2-ethoxyethanol 335.56
    isopentanol 171.53
    n-heptane 6.15
    ethyl formate 266.63
    1,2-dichloroethane 708.49
    n-hexanol 85.73
    2-methoxyethanol 522.62
    isobutyl acetate 111.88
    tetrachloromethane 89.3
    n-pentyl acetate 112.08
    transcutol 530.93
    n-heptanol 43.77
    ethylbenzene 149.3
    MIBK 168.07
    2-propoxyethanol 246.22
    tert-butanol 262.5
    MTBE 276.97
    2-butoxyethanol 134.12
    propionic acid 207.99
    o-xylene 185.82
    formic acid 333.73
    diethyl ether 269.66
    m-xylene 146.22
    p-xylene 205.52
    chlorobenzene 383.27
    dimethyl carbonate 262.39
    n-octane 4.05
    formamide 727.38
    cyclopentanone 622.82
    2-pentanone 291.05
    anisole 349.68
    cyclopentyl methyl ether 290.08
    gamma-butyrolactone 833.76
    1-methoxy-2-propanol 283.61
    pyridine 806.05
    3-pentanone 284.23
    furfural 928.43
    n-dodecane 4.65
    diethylene glycol 226.85
    diisopropyl ether 70.23
    tert-amyl alcohol 249.58
    acetylacetone 459.33
    n-hexadecane 5.64
    acetophenone 342.78
    methyl propionate 331.77
    isopentyl acetate 188.88
    trichloroethylene 1425.57
    n-nonanol 43.04
    cyclohexanol 203.46
    benzyl alcohol 291.76
    2-ethylhexanol 65.35
    isooctanol 40.78
    dipropyl ether 67.61
    1,2-dichlorobenzene 355.85
    ethyl lactate 98.34
    propylene carbonate 410.4
    n-methylformamide 494.0
    2-pentanol 115.01
    n-pentane 13.24
    1-propoxy-2-propanol 131.52
    1-methoxy-2-propyl acetate 207.54
    2-(2-methoxypropoxy) propanol 162.62
    mesitylene 79.24
    ε-caprolactone 507.82
    p-cymene 56.73
    epichlorohydrin 972.84
    1,1,1-trichloroethane 452.76
    2-aminoethanol 109.51
    morpholine-4-carbaldehyde 857.2
    sulfolane 877.41
    2,2,4-trimethylpentane 13.65
    2-methyltetrahydrofuran 521.85
    n-hexyl acetate 151.02
    isooctane 6.68
    2-(2-butoxyethoxy)ethanol 187.78
    sec-butyl acetate 148.77
    tert-butyl acetate 243.05
    decalin 26.16
    glycerin 100.63
    diglyme 421.63
    acrylic acid 261.03
    isopropyl myristate 60.12
    n-butyric acid 264.67
    acetyl acetate 314.49
    di(2-ethylhexyl) phthalate 75.74
    ethyl propionate 204.58
    nitromethane 1235.68
    1,2-diethoxyethane 183.46
    benzonitrile 338.07
    trioctyl phosphate 45.05
    1-bromopropane 231.05
    gamma-valerolactone 897.55
    n-decanol 32.32
    triethyl phosphate 101.9
    4-methyl-2-pentanol 71.01
    propionitrile 235.42
    vinylene carbonate 430.78
    1,1,2-trichlorotrifluoroethane 552.21
    DMS 240.9
    cumene 85.86
    2-octanol 34.28
    2-hexanone 188.18
    octyl acetate 78.72
    limonene 72.62
    1,2-dimethoxyethane 635.86
    ethyl orthosilicate 89.37
    tributyl phosphate 66.19
    diacetone alcohol 227.1
    N,N-dimethylaniline 232.02
    acrylonitrile 384.19
    aniline 353.33
    1,3-propanediol 186.31
    bromobenzene 410.29
    dibromomethane 540.39
    1,1,2,2-tetrachloroethane 898.5
    2-methyl-cyclohexyl acetate 133.86
    tetrabutyl urea 94.46
    diisobutyl methanol 42.2
    2-phenylethanol 191.69
    styrene 208.36
    dioctyl adipate 99.82
    dimethyl sulfate 458.68
    ethyl butyrate 139.25
    methyl lactate 146.54
    butyl lactate 80.82
    diethyl carbonate 126.88
    propanediol butyl ether 92.68
    triethyl orthoformate 101.91
    p-tert-butyltoluene 53.29
    methyl 4-tert-butylbenzoate 180.53
    morpholine 651.06
    tert-butylamine 141.82
    n-dodecanol 25.43
    dimethoxymethane 517.87
    ethylene carbonate 333.12
    cyrene 220.56
    2-ethoxyethyl acetate 181.81
    2-ethylhexyl acetate 149.72
    1,2,4-trichlorobenzene 444.34
    4-methylpyridine 805.16
    dibutyl ether 66.39
    2,6-dimethyl-4-heptanol 42.2
    DEF 489.78
    dimethyl isosorbide 318.16
    tetrachloroethylene 609.85
    eugenol 180.7
    triacetin 174.36
    span 80 108.26
    1,4-butanediol 75.72
    1,1-dichloroethane 478.66
    2-methyl-1-pentanol 163.35
    methyl formate 416.61
    2-methyl-1-butanol 163.66
    n-decane 6.79
    butyronitrile 213.0
    3,7-dimethyl-1-octanol 56.7
    1-chlorooctane 35.5
    1-chlorotetradecane 18.21
    n-nonane 5.5
    undecane 5.5
    tert-butylcyclohexane 17.96
    cyclooctane 10.25
    cyclopentanol 194.85
    tetrahydropyran 432.03
    tert-amyl methyl ether 241.93
    2,5,8-trioxanonane 295.76
    1-hexene 64.26
    2-isopropoxyethanol 207.83
    2,2,2-trifluoroethanol 253.66
    methyl butyrate 278.49

    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