Ethyl 3-furoate

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  • Identifiers

    CAS number
    614-98-2

    Molecular formula
    C7H8O3

    SMILES
    CCOC(=O)C1=COC=C1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 93.25%
    Floral 61.66%
    Sweet 55.98%
    Berry 46.83%
    Apple 42.48%
    Winey 40.46%
    Herbal 38.68%
    Cherry 37.0%
    Tropical 36.79%
    Strawberry 35.22%

     

    Flavor
    Fruity 74.33%
    Sweet 66.11%
    Balsam 47.84%
    Grape 40.75%
    Floral 38.18%
    Bitter 35.72%
    Strawberry 35.44%
    Herbal 31.2%
    Berry 31.2%
    Tobacco 31.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.39 (weak acid)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 71.55 ˚C est.

  • Synonyms

    • Ethyl 3-furoate
    • 614-98-2
    • Ethyl 3-Furancarboxylate
    • 3-Furancarboxylic acid, ethyl ester
    • I8Q0YN919K
    • EINECS 210-403-5
    • NSC-349939
    • DTXSID90210333
    • NSC 349939
    • RefChem:594961
    • DTXCID90132824
    • 210-403-5
    • ethyl furan-3-carboxylate
    • MFCD00005348
    • 3-Furancarboxylic Acid Ethyl Ester
    • ETHYL-3-FUROATE
    • UNII-I8Q0YN919K
    • ethyl 3furoate
    • 3-Furancarboxylic Acid Ethyl Ester; 3-Furoic Acid Ethyl Ester; Ethyl 3-Furancarboxylate; NSC 349939
    • Furan-3-carboxylic acid ethyl ester
    • ETHYL3-FUROATE
    • ethylfuran-3-carboxylate
    • ethyl uran-3-carboxylate
    • Ethyl 3-furoate, 98%
    • SCHEMBL624090
    • SCHEMBL3665068
    • SCHEMBL4485128
    • CHEBI:193961
    • GEO-03433
    • NSC349939
    • AKOS009165562
    • CS-W020542
    • SB61197
    • AC-25743
    • SY050805
    • TS-01823
    • DB-004230
    • F0463
    • NS00034707
    • ST50307329
    • EN300-171655
    • N11964
    • F066948
    • Q27280581
    • InChI=1/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H
    • 614-98-2

  • Applications

    Ethyl 3-furoate (CAS 614-98-2) is used primarily as a fragrance ingredient in perfumery and as a flavor intermediate for various food applications; it is also considered for use in cosmetics and personal care as a fragrance component. Additionally, it serves as an intermediate in organic synthesis for pharmaceuticals and agrochemicals. In industrial manufacturing, it may function as a solvent or co-solvent in coatings, inks, and cleaning formulations. As a versatile ester, it can act as a building block for polymer-chemistry applications, including the synthesis of furoate-derived monomers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 272.16
    methanol 396.09
    isopropanol 209.49
    water 4.69
    ethyl acetate 222.54
    n-propanol 203.85
    acetone 451.15
    n-butanol 184.88
    acetonitrile 386.4
    DMF 1154.11
    toluene 139.66
    isobutanol 169.33
    1,4-dioxane 374.78
    methyl acetate 321.18
    THF 442.6
    2-butanone 322.46
    n-pentanol 156.18
    sec-butanol 195.4
    n-hexane 17.85
    ethylene glycol 166.24
    NMP 933.59
    cyclohexane 38.48
    DMSO 994.56
    n-butyl acetate 153.6
    n-octanol 131.53
    chloroform 796.98
    n-propyl acetate 171.38
    acetic acid 451.27
    dichloromethane 1073.47
    cyclohexanone 413.76
    propylene glycol 142.11
    isopropyl acetate 127.31
    DMAc 890.04
    2-ethoxyethanol 274.5
    isopentanol 153.18
    n-heptane 23.76
    ethyl formate 270.36
    1,2-dichloroethane 535.16
    n-hexanol 138.11
    2-methoxyethanol 443.56
    isobutyl acetate 102.14
    tetrachloromethane 96.48
    n-pentyl acetate 123.12
    transcutol 460.46
    n-heptanol 90.49
    ethylbenzene 111.26
    MIBK 145.75
    2-propoxyethanol 251.18
    tert-butanol 266.07
    MTBE 175.46
    2-butoxyethanol 154.75
    propionic acid 290.09
    o-xylene 140.78
    formic acid 171.78
    diethyl ether 145.0
    m-xylene 123.31
    p-xylene 161.67
    chlorobenzene 274.26
    dimethyl carbonate 213.63
    n-octane 13.58
    formamide 306.51
    cyclopentanone 515.08
    2-pentanone 215.83
    anisole 260.57
    cyclopentyl methyl ether 196.61
    gamma-butyrolactone 614.31
    1-methoxy-2-propanol 317.06
    pyridine 416.82
    3-pentanone 198.24
    furfural 698.87
    n-dodecane 19.03
    diethylene glycol 265.69
    diisopropyl ether 51.9
    tert-amyl alcohol 234.57
    acetylacetone 302.82
    n-hexadecane 21.17
    acetophenone 278.36
    methyl propionate 263.35
    isopentyl acetate 132.99
    trichloroethylene 979.03
    n-nonanol 109.14
    cyclohexanol 193.23
    benzyl alcohol 232.77
    2-ethylhexanol 101.15
    isooctanol 79.79
    dipropyl ether 109.18
    1,2-dichlorobenzene 306.25
    ethyl lactate 147.99
    propylene carbonate 370.27
    n-methylformamide 491.29
    2-pentanol 120.56
    n-pentane 20.25
    1-propoxy-2-propanol 171.96
    1-methoxy-2-propyl acetate 172.37
    2-(2-methoxypropoxy) propanol 211.95
    mesitylene 88.18
    ε-caprolactone 324.96
    p-cymene 87.66
    epichlorohydrin 647.14
    1,1,1-trichloroethane 420.1
    2-aminoethanol 197.41
    morpholine-4-carbaldehyde 672.88
    sulfolane 925.73
    2,2,4-trimethylpentane 21.33
    2-methyltetrahydrofuran 289.5
    n-hexyl acetate 205.79
    isooctane 15.09
    2-(2-butoxyethoxy)ethanol 239.57
    sec-butyl acetate 100.94
    tert-butyl acetate 145.65
    decalin 33.69
    glycerin 228.28
    diglyme 451.68
    acrylic acid 340.11
    isopropyl myristate 91.09
    n-butyric acid 258.51
    acetyl acetate 170.94
    di(2-ethylhexyl) phthalate 111.17
    ethyl propionate 165.93
    nitromethane 731.83
    1,2-diethoxyethane 161.22
    benzonitrile 347.25
    trioctyl phosphate 83.44
    1-bromopropane 230.31
    gamma-valerolactone 545.29
    n-decanol 88.42
    triethyl phosphate 103.1
    4-methyl-2-pentanol 78.72
    propionitrile 296.59
    vinylene carbonate 411.79
    1,1,2-trichlorotrifluoroethane 495.58
    DMS 193.61
    cumene 90.76
    2-octanol 76.7
    2-hexanone 176.06
    octyl acetate 121.36
    limonene 120.48
    1,2-dimethoxyethane 472.63
    ethyl orthosilicate 90.22
    tributyl phosphate 95.25
    diacetone alcohol 206.21
    N,N-dimethylaniline 222.61
    acrylonitrile 468.22
    aniline 207.04
    1,3-propanediol 224.65
    bromobenzene 304.13
    dibromomethane 584.99
    1,1,2,2-tetrachloroethane 717.0
    2-methyl-cyclohexyl acetate 142.7
    tetrabutyl urea 143.94
    diisobutyl methanol 70.9
    2-phenylethanol 171.18
    styrene 150.06
    dioctyl adipate 155.14
    dimethyl sulfate 397.24
    ethyl butyrate 156.4
    methyl lactate 212.43
    butyl lactate 121.82
    diethyl carbonate 137.48
    propanediol butyl ether 182.67
    triethyl orthoformate 113.93
    p-tert-butyltoluene 82.64
    methyl 4-tert-butylbenzoate 241.2
    morpholine 385.98
    tert-butylamine 174.64
    n-dodecanol 74.87
    dimethoxymethane 408.85
    ethylene carbonate 290.87
    cyrene 257.24
    2-ethoxyethyl acetate 158.05
    2-ethylhexyl acetate 107.61
    1,2,4-trichlorobenzene 346.83
    4-methylpyridine 401.68
    dibutyl ether 113.58
    2,6-dimethyl-4-heptanol 70.9
    DEF 389.49
    dimethyl isosorbide 301.92
    tetrachloroethylene 426.94
    eugenol 217.75
    triacetin 227.72
    span 80 179.17
    1,4-butanediol 136.11
    1,1-dichloroethane 451.52
    2-methyl-1-pentanol 143.09
    methyl formate 465.19
    2-methyl-1-butanol 157.68
    n-decane 25.27
    butyronitrile 256.53
    3,7-dimethyl-1-octanol 119.8
    1-chlorooctane 97.82
    1-chlorotetradecane 48.98
    n-nonane 23.7
    undecane 21.35
    tert-butylcyclohexane 30.55
    cyclooctane 14.93
    cyclopentanol 229.52
    tetrahydropyran 244.3
    tert-amyl methyl ether 146.61
    2,5,8-trioxanonane 349.54
    1-hexene 69.8
    2-isopropoxyethanol 184.46
    2,2,2-trifluoroethanol 178.08
    methyl butyrate 248.68

    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