2-Ethylbenzofuran

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  • Identifiers

    CAS number
    3131-63-3

    Molecular formula
    C10H10O

    SMILES
    CCC1=CC2=CC=CC=C2O1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Burnt 51.12%
    Phenolic 47.18%
    Sweet 45.45%
    Nutty 40.56%
    Roasted 39.56%
    Earthy 37.85%
    Musty 36.47%
    Smoky 34.3%
    Coffee 33.21%
    Anisic 33.04%

     

    Flavor
    Earthy 45.21%
    Nutty 43.57%
    Sweet 39.44%
    Green 39.37%
    Coffee 38.53%
    Musty 35.24%
    Phenolic 34.79%
    Roasted 32.37%
    Tobacco 31.64%
    Smoky 30.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.47 (neutral)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    215°C

    Flash point

    • 79.12 ˚C est.

  • Synonyms

    • 2-Ethylbenzofuran
    • Benzofuran, 2-ethyl-
    • Ethyl-2-benzofuran
    • EINECS 221-524-8
    • DTXSID9062857
    • RefChem:86946
    • DTXCID5038335
    • 221-524-8
    • KJHYAEZMOHLVCH-UHFFFAOYSA-N
    • 3131-63-3
    • 2-Ethyl-1-benzofuran
    • 2-ethylbenzo[b]furan
    • Benzbromarone Impurity 6
    • 2-ethyl benzofuran
    • MFCD00047287
    • Benzbromarone Impurity 9
    • 2-Ethylbenzo[b]furan; 2-Ethylbenzofuran
    • 2-ethybenzofuran
    • 2-ethylbenzo[b]-furan
    • 2-Ethyl-1-benzofuran #
    • SCHEMBL291730
    • SCHEMBL515109
    • SCHEMBL521783
    • orb3023476
    • SCHEMBL1706926
    • SCHEMBL31499129
    • AKOS000120525
    • AS-17366
    • FE171322
    • SY067362
    • DB-048008
    • CS-0141840
    • NS00029057
    • EN300-20899
    • D97187
    • F018678
    • 3131-63-3

  • Applications

    2-Ethylbenzofuran (CAS 3131-63-3) is primarily used as an intermediate in organic synthesis, functioning as a building block for benzofuran-based compounds. In fragrance and cosmetics, it is commonly evaluated as a precursor or constituent in aroma formulations due to the characteristic benzofuran moiety. It is also considered as a synthetic intermediate in pharmaceutical and agrochemical development, enabling exploration of heterocyclic scaffolds. In industrial manufacturing and materials science, it can serve as a specialty intermediate for further derivatization toward coatings or polymer-related applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 596.35
    methanol 558.34
    isopropanol 445.5
    water 1.32
    ethyl acetate 975.88
    n-propanol 493.07
    acetone 1187.47
    n-butanol 503.83
    acetonitrile 867.44
    DMF 1222.08
    toluene 656.95
    isobutanol 403.96
    1,4-dioxane 1196.83
    methyl acetate 1046.89
    THF 1425.63
    2-butanone 989.09
    n-pentanol 424.59
    sec-butanol 471.37
    n-hexane 291.51
    ethylene glycol 117.4
    NMP 717.3
    cyclohexane 323.52
    DMSO 976.58
    n-butyl acetate 1068.96
    n-octanol 519.23
    chloroform 2856.43
    n-propyl acetate 764.73
    acetic acid 367.56
    dichloromethane 3715.23
    cyclohexanone 1024.85
    propylene glycol 132.86
    isopropyl acetate 498.63
    DMAc 871.72
    2-ethoxyethanol 532.23
    isopentanol 400.66
    n-heptane 268.23
    ethyl formate 731.29
    1,2-dichloroethane 1732.82
    n-hexanol 610.72
    2-methoxyethanol 655.07
    isobutyl acetate 479.9
    tetrachloromethane 500.8
    n-pentyl acetate 606.23
    transcutol 1631.46
    n-heptanol 319.28
    ethylbenzene 578.09
    MIBK 444.2
    2-propoxyethanol 709.4
    tert-butanol 463.25
    MTBE 571.98
    2-butoxyethanol 457.57
    propionic acid 405.65
    o-xylene 416.75
    formic acid 78.19
    diethyl ether 916.37
    m-xylene 422.1
    p-xylene 670.3
    chlorobenzene 794.01
    dimethyl carbonate 463.94
    n-octane 158.64
    formamide 209.4
    cyclopentanone 1133.27
    2-pentanone 779.91
    anisole 825.06
    cyclopentyl methyl ether 682.86
    gamma-butyrolactone 1234.1
    1-methoxy-2-propanol 500.61
    pyridine 1225.13
    3-pentanone 727.38
    furfural 905.4
    n-dodecane 131.36
    diethylene glycol 401.71
    diisopropyl ether 277.21
    tert-amyl alcohol 438.14
    acetylacetone 797.47
    n-hexadecane 145.78
    acetophenone 663.22
    methyl propionate 809.72
    isopentyl acetate 730.61
    trichloroethylene 2592.23
    n-nonanol 431.75
    cyclohexanol 431.12
    benzyl alcohol 451.14
    2-ethylhexanol 421.23
    isooctanol 262.74
    dipropyl ether 830.32
    1,2-dichlorobenzene 709.65
    ethyl lactate 283.14
    propylene carbonate 818.09
    n-methylformamide 544.26
    2-pentanol 356.85
    n-pentane 217.23
    1-propoxy-2-propanol 524.08
    1-methoxy-2-propyl acetate 591.18
    2-(2-methoxypropoxy) propanol 526.62
    mesitylene 276.9
    ε-caprolactone 863.41
    p-cymene 331.7
    epichlorohydrin 1442.22
    1,1,1-trichloroethane 1232.46
    2-aminoethanol 212.52
    morpholine-4-carbaldehyde 861.1
    sulfolane 923.76
    2,2,4-trimethylpentane 88.06
    2-methyltetrahydrofuran 985.22
    n-hexyl acetate 928.59
    isooctane 70.17
    2-(2-butoxyethoxy)ethanol 682.82
    sec-butyl acetate 469.8
    tert-butyl acetate 435.61
    decalin 171.51
    glycerin 142.22
    diglyme 1226.18
    acrylic acid 326.51
    isopropyl myristate 431.45
    n-butyric acid 542.04
    acetyl acetate 527.79
    di(2-ethylhexyl) phthalate 281.56
    ethyl propionate 726.26
    nitromethane 777.53
    1,2-diethoxyethane 1019.3
    benzonitrile 725.28
    trioctyl phosphate 234.71
    1-bromopropane 1196.84
    gamma-valerolactone 1026.19
    n-decanol 343.5
    triethyl phosphate 283.08
    4-methyl-2-pentanol 208.37
    propionitrile 808.09
    vinylene carbonate 856.78
    1,1,2-trichlorotrifluoroethane 539.54
    DMS 697.4
    cumene 356.93
    2-octanol 309.79
    2-hexanone 716.94
    octyl acetate 523.85
    limonene 402.45
    1,2-dimethoxyethane 1281.28
    ethyl orthosilicate 269.65
    tributyl phosphate 325.13
    diacetone alcohol 373.84
    N,N-dimethylaniline 542.86
    acrylonitrile 909.56
    aniline 476.4
    1,3-propanediol 292.17
    bromobenzene 1016.25
    dibromomethane 2378.95
    1,1,2,2-tetrachloroethane 1596.88
    2-methyl-cyclohexyl acetate 445.44
    tetrabutyl urea 418.96
    diisobutyl methanol 229.2
    2-phenylethanol 480.2
    styrene 721.12
    dioctyl adipate 516.03
    dimethyl sulfate 458.92
    ethyl butyrate 804.18
    methyl lactate 256.07
    butyl lactate 363.0
    diethyl carbonate 588.69
    propanediol butyl ether 406.28
    triethyl orthoformate 423.51
    p-tert-butyltoluene 289.95
    methyl 4-tert-butylbenzoate 475.41
    morpholine 983.87
    tert-butylamine 395.61
    n-dodecanol 292.18
    dimethoxymethane 960.52
    ethylene carbonate 716.31
    cyrene 332.44
    2-ethoxyethyl acetate 694.84
    2-ethylhexyl acetate 627.24
    1,2,4-trichlorobenzene 672.02
    4-methylpyridine 1117.87
    dibutyl ether 883.86
    2,6-dimethyl-4-heptanol 229.2
    DEF 854.93
    dimethyl isosorbide 709.21
    tetrachloroethylene 1222.4
    eugenol 496.24
    triacetin 645.24
    span 80 421.32
    1,4-butanediol 188.46
    1,1-dichloroethane 1496.94
    2-methyl-1-pentanol 418.2
    methyl formate 546.81
    2-methyl-1-butanol 405.33
    n-decane 206.64
    butyronitrile 833.8
    3,7-dimethyl-1-octanol 400.44
    1-chlorooctane 528.71
    1-chlorotetradecane 246.37
    n-nonane 225.6
    undecane 158.43
    tert-butylcyclohexane 154.28
    cyclooctane 142.61
    cyclopentanol 462.89
    tetrahydropyran 1079.45
    tert-amyl methyl ether 455.12
    2,5,8-trioxanonane 835.77
    1-hexene 718.79
    2-isopropoxyethanol 431.77
    2,2,2-trifluoroethanol 155.45
    methyl butyrate 923.98

    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