2-Ethylfuran

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  • Identifiers

    CAS number
    3208-16-0

    Molecular formula
    C6H8O

    SMILES
    CCC1=CC=CO1

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Retention indicies (RI)

    • DB5: 706.0
    • Carbowax: 945.0

  • Odor profile

    Ethereal 83.7%
    Sweet 74.76%
    Burnt 64.4%
    Nutty 62.61%
    Solvent 50.32%
    Musty 49.8%
    Coffee 48.68%
    Gassy 41.72%
    Roasted 41.28%
    Cocoa 37.42%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.55 (neutral)

    Molecular weight
    96.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 92.00 to 93.00 °C. @ 765.00 mm Hg

    Flash point est.
    -0.17 ˚C

    Solubility expt.

    • Insoluble in water; Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • 2-Ethylfuran
    • 3208-16-0
    • Furan, 2-ethyl-
    • alpha-Ethylfuran
    • 2-Ethyloxole
    • 2-ETHYL FURAN
    • 2-Ethyl furane
    • FEMA No. 3673
    • CCRIS 4387
    • Furan, .alpha.-ethyl-
    • 2-ethyl-furan
    • EINECS 221-714-0
    • UNII-T8O6J71T9O
    • T8O6J71T9O
    • FEMA 3673
    • MFCD00003259
    • .ALPHA.-ETHYLFURAN
    • 2-ETHYLFURAN [FHFI]
    • DTXSID7062906
    • CHEBI:141565
    • 2-Ethylfuran; a-Ethylfuran; Furan, 2-ethyl-
    • alpha-Ethyl-Furan
    • Furan, alpha-ethyl-
    • 2-Ethylfuran, 97%
    • 2-Ethylfuran, >=99%
    • CHEMBL2269084
    • DTXCID6038451
    • 2-Ethylfuran, analytical standard
    • GEO-01350
    • AKOS005254497
    • CS-W013731
    • SB60988
    • 2-Ethylfuran 100 microg/mL in Acetonitrile
    • E0454
    • NS00022047
    • EN300-51262
    • S10154
    • Q17989420
    • Z640169748
    • 221-714-0

  • Applications

    2-Ethylfuran (CAS 3208-16-0) is an aromatic heterocycle with a characteristic roasted, nutty scent that is widely employed in flavor and fragrance compositions to recreate coffee, cocoa, peanut and light caramel notes; in organic synthesis it acts as a versatile intermediate for constructing the furan scaffold of pharmaceuticals, agrochemicals, bioactive modifiers and specialty polymers; analytical laboratories use 2-ethylfuran as a reference standard for quantifying biomass pyrolysis products, modeling biofuel mixtures and studying the toxicology of furan derivatives; moreover, its volatility and high heating value have prompted evaluation of this molecule as an octane-boosting additive for next-generation bio-gasoline, helping to optimize combustion behavior and cut emissions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1548.24
    methanol 2202.26
    isopropanol 806.11
    water 8.49
    ethyl acetate 937.12
    n-propanol 1003.71
    acetone 880.48
    n-butanol 1001.77
    acetonitrile 1105.06
    DMF 894.33
    toluene 559.09
    isobutanol 726.65
    1,4-dioxane 1669.3
    methyl acetate 810.21
    THF 1827.76
    2-butanone 836.99
    n-pentanol 795.94
    sec-butanol 757.11
    n-hexane 331.17
    ethylene glycol 290.54
    NMP 985.99
    cyclohexane 349.14
    DMSO 1140.37
    n-butyl acetate 815.83
    n-octanol 392.19
    chloroform 3132.93
    n-propyl acetate 542.44
    acetic acid 1127.58
    dichloromethane 3272.67
    cyclohexanone 1120.83
    propylene glycol 252.04
    isopropyl acetate 495.95
    DMAc 748.0
    2-ethoxyethanol 951.24
    isopentanol 819.11
    n-heptane 210.09
    ethyl formate 551.12
    1,2-dichloroethane 1485.37
    n-hexanol 765.67
    2-methoxyethanol 1258.22
    isobutyl acetate 357.21
    tetrachloromethane 692.26
    n-pentyl acetate 445.86
    transcutol 2934.31
    n-heptanol 323.64
    ethylbenzene 272.58
    MIBK 448.65
    2-propoxyethanol 1081.9
    tert-butanol 879.23
    MTBE 891.65
    2-butoxyethanol 537.34
    propionic acid 707.53
    o-xylene 313.14
    formic acid 545.72
    diethyl ether 1289.92
    m-xylene 299.58
    p-xylene 338.72
    chlorobenzene 832.66
    dimethyl carbonate 257.31
    n-octane 80.28
    formamide 570.43
    cyclopentanone 1066.88
    2-pentanone 713.08
    anisole 587.18
    cyclopentyl methyl ether 902.36
    gamma-butyrolactone 1154.16
    1-methoxy-2-propanol 768.16
    pyridine 1261.77
    3-pentanone 575.4
    furfural 1091.55
    n-dodecane 61.79
    diethylene glycol 737.93
    diisopropyl ether 323.53
    tert-amyl alcohol 774.49
    acetylacetone 647.37
    n-hexadecane 68.19
    acetophenone 426.75
    methyl propionate 604.74
    isopentyl acetate 649.4
    trichloroethylene 2233.67
    n-nonanol 342.27
    cyclohexanol 732.35
    benzyl alcohol 478.21
    2-ethylhexanol 461.17
    isooctanol 280.16
    dipropyl ether 635.43
    1,2-dichlorobenzene 638.68
    ethyl lactate 202.14
    propylene carbonate 569.73
    n-methylformamide 619.79
    2-pentanol 633.53
    n-pentane 297.12
    1-propoxy-2-propanol 663.21
    1-methoxy-2-propyl acetate 535.45
    2-(2-methoxypropoxy) propanol 545.42
    mesitylene 199.94
    ε-caprolactone 928.2
    p-cymene 197.77
    epichlorohydrin 1604.17
    1,1,1-trichloroethane 1337.64
    2-aminoethanol 547.39
    morpholine-4-carbaldehyde 1150.08
    sulfolane 1139.17
    2,2,4-trimethylpentane 134.74
    2-methyltetrahydrofuran 1588.78
    n-hexyl acetate 606.3
    isooctane 101.55
    2-(2-butoxyethoxy)ethanol 774.28
    sec-butyl acetate 356.46
    tert-butyl acetate 478.83
    decalin 141.47
    glycerin 336.53
    diglyme 1275.82
    acrylic acid 593.05
    isopropyl myristate 257.53
    n-butyric acid 916.19
    acetyl acetate 476.65
    di(2-ethylhexyl) phthalate 242.95
    ethyl propionate 435.3
    nitromethane 1231.1
    1,2-diethoxyethane 1208.21
    benzonitrile 727.12
    trioctyl phosphate 159.17
    1-bromopropane 1227.05
    gamma-valerolactone 1221.78
    n-decanol 250.13
    triethyl phosphate 209.83
    4-methyl-2-pentanol 346.09
    propionitrile 887.41
    vinylene carbonate 567.73
    1,1,2-trichlorotrifluoroethane 810.25
    DMS 413.9
    cumene 205.68
    2-octanol 242.18
    2-hexanone 591.77
    octyl acetate 317.85
    limonene 320.62
    1,2-dimethoxyethane 1268.8
    ethyl orthosilicate 224.5
    tributyl phosphate 221.2
    diacetone alcohol 473.24
    N,N-dimethylaniline 384.08
    acrylonitrile 894.82
    aniline 695.05
    1,3-propanediol 716.48
    bromobenzene 872.99
    dibromomethane 2241.79
    1,1,2,2-tetrachloroethane 1519.41
    2-methyl-cyclohexyl acetate 353.41
    tetrabutyl urea 272.2
    diisobutyl methanol 234.65
    2-phenylethanol 502.52
    styrene 394.72
    dioctyl adipate 329.04
    dimethyl sulfate 332.19
    ethyl butyrate 505.95
    methyl lactate 231.53
    butyl lactate 257.78
    diethyl carbonate 315.78
    propanediol butyl ether 421.96
    triethyl orthoformate 331.44
    p-tert-butyltoluene 184.16
    methyl 4-tert-butylbenzoate 363.23
    morpholine 1662.57
    tert-butylamine 708.51
    n-dodecanol 195.09
    dimethoxymethane 835.98
    ethylene carbonate 486.63
    cyrene 383.6
    2-ethoxyethyl acetate 616.28
    2-ethylhexyl acetate 515.4
    1,2,4-trichlorobenzene 715.47
    4-methylpyridine 1184.93
    dibutyl ether 588.71
    2,6-dimethyl-4-heptanol 234.65
    DEF 805.02
    dimethyl isosorbide 793.19
    tetrachloroethylene 1188.01
    eugenol 402.35
    triacetin 462.81
    span 80 444.94
    1,4-butanediol 359.37
    1,1-dichloroethane 1560.48
    2-methyl-1-pentanol 708.58
    methyl formate 464.99
    2-methyl-1-butanol 795.41
    n-decane 97.58
    butyronitrile 948.94
    3,7-dimethyl-1-octanol 399.52
    1-chlorooctane 312.37
    1-chlorotetradecane 131.62
    n-nonane 103.47
    undecane 73.86
    tert-butylcyclohexane 150.2
    cyclooctane 119.13
    cyclopentanol 725.82
    tetrahydropyran 1597.73
    tert-amyl methyl ether 655.53
    2,5,8-trioxanonane 902.97
    1-hexene 688.36
    2-isopropoxyethanol 630.61
    2,2,2-trifluoroethanol 308.53
    methyl butyrate 589.97

    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

Botanical

Name CAS Botanical Proportion
Peppermint (Greece) 2 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.05%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.02%
Achillea biebersteinii (Turkey) 2 Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 0.01%
Oregano, mexican (U.S.A.) 2 Lippia graveolens HBK., fam. Verbenaceae 0.01%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.01%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%
Artemisia verlotiorum (France) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Peppermint (Mexico) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.01%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.2%