Ethyl 2-furoate

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  • Identifiers

    CAS number
    614-99-3

    Molecular formula
    C7H8O3

    SMILES
    CCOC(=O)C1=CC=CO1

  • Odor profile

    Fragrance
    Fruity 92.6%
    Floral 63.79%
    Sweet 57.63%
    Caramellic 53.75%
    Berry 45.88%
    Winey 40.3%
    Burnt 37.26%
    Strawberry 36.25%
    Tropical 34.99%
    Apple 33.92%

     

    Flavor
    Fruity 86.69%
    Sweet 76.6%
    Grape 46.09%
    Caramel 37.99%
    Balsam 37.3%
    Strawberry 34.71%
    Berry 34.27%
    Pineapple 32.07%
    Banana 30.51%
    Creamy 30.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.69 (weak acid)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point

    • 71.57 ˚C est.

  • Synonyms

    • ETHYL 2-FUROATE
    • Ethyl furan-2-carboxylate
    • 614-99-3
    • Ethyl furoate
    • Ethyl 2-furancarboxylate
    • 1335-40-6
    • 2-Furancarboxylic acid, ethyl ester
    • Ethyl-2-furoate
    • Ethyl pyromucate
    • 2-Carboethoxyfuran
    • Ethyl2-furoate
    • Ethyl 2-furylcarboxylate
    • Furan-2-carboxylic acid ethyl ester
    • 2-Furoic acid, ethyl ester
    • 2-(Ethoxycarbonyl)furan
    • NSC 2304
    • 2-Furoic Acid Ethyl Ester
    • EINECS 210-404-0
    • BRN 0002653
    • AI3-23056
    • Furancarboxylic acid, ethyl ester
    • S1H449R92T
    • NSC-2304
    • MFCD00003237
    • DTXSID0060640
    • 2-FUROIC ACID ETHYL ESTER [MI]
    • Furoic acid, ethyl ester
    • UNII-31OM7UT24E
    • UNII-S1H449R92T
    • 2-Furancarboxylic Acid Ethyl Ester
    • EINECS 215-631-9
    • ethyl uran-2-carboxylate
    • Ethyl 2-furoate, 99%
    • WLN: T5OJ BVO2
    • SCHEMBL859237
    • 31OM7UT24E
    • CHEMBL4634762
    • DTXCID2043032
    • NSC2304
    • CHEBI:169174
    • Ethyl 2-furoate, >=98%, FG
    • BBL001830
    • STK037149
    • AKOS000119259
    • FE70446
    • AS-14743
    • BP-13163
    • SY013608
    • DB-003644
    • DB-297597
    • CS-0015334
    • F0098
    • NS00022502
    • EN300-16109
    • H11621
    • Q27288446
    • Z54848724
    • F0001-1621
    • InChI=1/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H
    • 210-404-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 378.94
    methanol 621.78
    isopropanol 232.31
    water 9.92
    ethyl acetate 288.19
    n-propanol 256.01
    acetone 540.76
    n-butanol 231.48
    acetonitrile 536.05
    DMF 1402.59
    toluene 160.31
    isobutanol 177.8
    1,4-dioxane 442.9
    methyl acetate 392.48
    THF 432.79
    2-butanone 330.87
    n-pentanol 195.66
    sec-butanol 217.43
    n-hexane 22.47
    ethylene glycol 224.32
    NMP 792.17
    cyclohexane 53.74
    DMSO 1105.52
    n-butyl acetate 221.13
    n-octanol 186.85
    chloroform 1148.23
    n-propyl acetate 216.85
    acetic acid 578.12
    dichloromethane 1524.45
    cyclohexanone 472.97
    propylene glycol 145.65
    isopropyl acetate 138.34
    DMAc 833.0
    2-ethoxyethanol 393.85
    isopentanol 167.17
    n-heptane 27.07
    ethyl formate 394.39
    1,2-dichloroethane 774.99
    n-hexanol 161.45
    2-methoxyethanol 626.48
    isobutyl acetate 103.04
    tetrachloromethane 145.38
    n-pentyl acetate 170.4
    transcutol 686.33
    n-heptanol 118.02
    ethylbenzene 129.62
    MIBK 129.15
    2-propoxyethanol 290.0
    tert-butanol 232.83
    MTBE 150.15
    2-butoxyethanol 210.64
    propionic acid 322.34
    o-xylene 144.01
    formic acid 328.79
    diethyl ether 170.89
    m-xylene 113.31
    p-xylene 192.47
    chlorobenzene 382.65
    dimethyl carbonate 218.78
    n-octane 22.18
    formamide 598.4
    cyclopentanone 458.31
    2-pentanone 224.54
    anisole 275.12
    cyclopentyl methyl ether 171.6
    gamma-butyrolactone 611.16
    1-methoxy-2-propanol 366.77
    pyridine 665.35
    3-pentanone 205.13
    furfural 875.9
    n-dodecane 27.45
    diethylene glycol 318.41
    diisopropyl ether 47.38
    tert-amyl alcohol 207.28
    acetylacetone 304.97
    n-hexadecane 30.42
    acetophenone 299.44
    methyl propionate 308.86
    isopentyl acetate 159.36
    trichloroethylene 1448.19
    n-nonanol 151.19
    cyclohexanol 210.71
    benzyl alcohol 291.81
    2-ethylhexanol 117.52
    isooctanol 97.44
    dipropyl ether 115.79
    1,2-dichlorobenzene 416.19
    ethyl lactate 165.05
    propylene carbonate 392.78
    n-methylformamide 701.56
    2-pentanol 134.13
    n-pentane 26.49
    1-propoxy-2-propanol 206.41
    1-methoxy-2-propyl acetate 174.5
    2-(2-methoxypropoxy) propanol 234.17
    mesitylene 79.47
    ε-caprolactone 367.4
    p-cymene 90.24
    epichlorohydrin 673.12
    1,1,1-trichloroethane 454.48
    2-aminoethanol 266.15
    morpholine-4-carbaldehyde 646.56
    sulfolane 790.06
    2,2,4-trimethylpentane 19.0
    2-methyltetrahydrofuran 255.66
    n-hexyl acetate 276.2
    isooctane 12.52
    2-(2-butoxyethoxy)ethanol 316.52
    sec-butyl acetate 110.54
    tert-butyl acetate 134.41
    decalin 36.32
    glycerin 247.2
    diglyme 600.22
    acrylic acid 397.4
    isopropyl myristate 109.73
    n-butyric acid 321.27
    acetyl acetate 204.11
    di(2-ethylhexyl) phthalate 123.27
    ethyl propionate 202.56
    nitromethane 1036.13
    1,2-diethoxyethane 229.88
    benzonitrile 467.6
    trioctyl phosphate 96.86
    1-bromopropane 296.2
    gamma-valerolactone 578.09
    n-decanol 116.4
    triethyl phosphate 109.02
    4-methyl-2-pentanol 75.28
    propionitrile 365.68
    vinylene carbonate 501.87
    1,1,2-trichlorotrifluoroethane 564.84
    DMS 229.77
    cumene 92.79
    2-octanol 109.33
    2-hexanone 190.07
    octyl acetate 149.83
    limonene 117.86
    1,2-dimethoxyethane 639.28
    ethyl orthosilicate 96.89
    tributyl phosphate 115.74
    diacetone alcohol 190.08
    N,N-dimethylaniline 227.7
    acrylonitrile 663.38
    aniline 249.43
    1,3-propanediol 302.06
    bromobenzene 410.96
    dibromomethane 836.52
    1,1,2,2-tetrachloroethane 946.01
    2-methyl-cyclohexyl acetate 139.81
    tetrabutyl urea 172.04
    diisobutyl methanol 74.2
    2-phenylethanol 205.53
    styrene 193.19
    dioctyl adipate 172.18
    dimethyl sulfate 357.24
    ethyl butyrate 190.09
    methyl lactate 229.38
    butyl lactate 158.84
    diethyl carbonate 169.43
    propanediol butyl ether 247.88
    triethyl orthoformate 129.23
    p-tert-butyltoluene 81.31
    methyl 4-tert-butylbenzoate 240.73
    morpholine 456.24
    tert-butylamine 153.33
    n-dodecanol 96.6
    dimethoxymethane 458.8
    ethylene carbonate 359.68
    cyrene 226.71
    2-ethoxyethyl acetate 208.35
    2-ethylhexyl acetate 130.43
    1,2,4-trichlorobenzene 445.45
    4-methylpyridine 515.85
    dibutyl ether 158.63
    2,6-dimethyl-4-heptanol 74.2
    DEF 418.31
    dimethyl isosorbide 298.45
    tetrachloroethylene 710.09
    eugenol 261.9
    triacetin 257.17
    span 80 200.6
    1,4-butanediol 175.56
    1,1-dichloroethane 537.09
    2-methyl-1-pentanol 150.68
    methyl formate 615.76
    2-methyl-1-butanol 169.92
    n-decane 39.31
    butyronitrile 370.67
    3,7-dimethyl-1-octanol 143.73
    1-chlorooctane 138.73
    1-chlorotetradecane 63.76
    n-nonane 38.19
    undecane 32.01
    tert-butylcyclohexane 28.4
    cyclooctane 19.9
    cyclopentanol 224.56
    tetrahydropyran 265.58
    tert-amyl methyl ether 132.31
    2,5,8-trioxanonane 439.27
    1-hexene 86.97
    2-isopropoxyethanol 221.36
    2,2,2-trifluoroethanol 214.75
    methyl butyrate 312.98

    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