2-Butylfuran

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  • Identifiers

    CAS number
    4466-24-4

    Molecular formula
    C8H12O

    SMILES
    CCCCC1=CC=CO1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1082.0

  • Odor profile

    Fragrance
    Sweet 66.42%
    Fruity 64.29%
    Green 55.24%
    Burnt 52.52%
    Ethereal 50.67%
    Nutty 50.55%
    Musty 43.63%
    Roasted 42.68%
    Fatty 40.46%
    Vegetable 38.89%

     

    Flavor
    Fruity 77.51%
    Sweet 71.39%
    Green 47.94%
    Earthy 47.69%
    Spicy 45.95%
    Nutty 38.02%
    Fatty 37.59%
    Vegetable 35.26%
    Roasted 33.82%
    Wine 33.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.63 (neutral)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 139.00 to 140.00 °C. @ 760.00 mm Hg

    Flash point

    • 37.74 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-BUTYLFURAN
    • 4466-24-4
    • Furan, 2-butyl-
    • 2-n-Butylfuran
    • 2-n-Butyl furan
    • 2-butyl-furan
    • UNII-81JV9ZYK0D
    • 81JV9ZYK0D
    • EINECS 224-732-7
    • MFCD00047071
    • 2-BUTYLFURAN [FHFI]
    • DTXSID8073340
    • FEMA NO. 4081
    • CHEBI:89750
    • NWZIYQNUCXUJJJ-UHFFFAOYSA-
    • 2-butyl furan
    • 2-n-Butylfuran; Furan, 2-butyl-
    • 2-(But-1-yl)furan
    • 2-Butylfuran, AldrichCPR
    • SCHEMBL256700
    • DTXCID3040350
    • AKOS025396869
    • PS-4850
    • SB60946
    • SY048490
    • 2-Butylfuran 100 microg/mL in Acetonitrile
    • B2412
    • CS-0152344
    • NS00022199
    • 2-Butylfuran 1000 microg/mL in Acetonitrile
    • D88935
    • EN300-7396471
    • Q27161938
    • 224-732-7

  • Applications

    2-Butylfuran (CAS 4466-24-4) is a hydrophobic furan derivative used primarily as an intermediate and building block in organic synthesis, with the furan ring serving as a diene for Diels–Alder routes to heterocycles, pharmaceutical and agrochemical intermediates, and functional materials; in materials research it is applied to graft furan motifs onto polymers/surfaces to design reversible furan–maleimide networks while tuning solubility and processability; in analytics it is used as a reference standard for GC/GC‑MS calibration and as a model compound in studies of furan formation in foods, flavors, and the environment; in energy chemistry, short‑chain alkylfurans such as 2‑butylfuran are explored as components or precursors of high‑octane fuels/additives; additionally, it can serve as a specialty solvent/thinner or odor‑modifying agent in flavor/fragrance research (subject to strict safety and purity compliance), broadly providing a useful hydrophobic furan motif to fine‑tune the physicochemical profile of target molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2307.89
    methanol 1890.45
    isopropanol 1673.99
    water 0.95
    ethyl acetate 815.52
    n-propanol 1667.65
    acetone 1176.07
    n-butanol 1592.75
    acetonitrile 1152.23
    DMF 1538.19
    toluene 693.51
    isobutanol 1276.06
    1,4-dioxane 1723.0
    methyl acetate 782.98
    THF 1663.67
    2-butanone 943.12
    n-pentanol 1058.98
    sec-butanol 1336.15
    n-hexane 390.68
    ethylene glycol 394.65
    NMP 769.45
    cyclohexane 582.81
    DMSO 1818.57
    n-butyl acetate 1094.13
    n-octanol 609.72
    chloroform 3758.71
    n-propyl acetate 534.49
    acetic acid 1023.51
    dichloromethane 3354.02
    cyclohexanone 1287.05
    propylene glycol 639.81
    isopropyl acetate 427.89
    DMAc 837.45
    2-ethoxyethanol 824.38
    isopentanol 1164.53
    n-heptane 395.9
    ethyl formate 656.94
    1,2-dichloroethane 1529.21
    n-hexanol 1555.84
    2-methoxyethanol 1236.11
    isobutyl acetate 351.83
    tetrachloromethane 613.15
    n-pentyl acetate 433.55
    transcutol 2285.89
    n-heptanol 532.45
    ethylbenzene 392.87
    MIBK 472.01
    2-propoxyethanol 1286.27
    tert-butanol 1531.14
    MTBE 916.69
    2-butoxyethanol 626.14
    propionic acid 888.3
    o-xylene 377.03
    formic acid 229.71
    diethyl ether 1098.47
    m-xylene 395.48
    p-xylene 467.67
    chlorobenzene 882.99
    dimethyl carbonate 243.52
    n-octane 119.7
    formamide 315.93
    cyclopentanone 1021.3
    2-pentanone 792.4
    anisole 644.27
    cyclopentyl methyl ether 816.88
    gamma-butyrolactone 935.72
    1-methoxy-2-propanol 961.69
    pyridine 1518.04
    3-pentanone 557.82
    furfural 1004.04
    n-dodecane 98.09
    diethylene glycol 752.98
    diisopropyl ether 290.46
    tert-amyl alcohol 1069.97
    acetylacetone 618.02
    n-hexadecane 107.58
    acetophenone 499.25
    methyl propionate 598.88
    isopentyl acetate 789.67
    trichloroethylene 2520.95
    n-nonanol 478.1
    cyclohexanol 1195.83
    benzyl alcohol 612.44
    2-ethylhexanol 841.13
    isooctanol 375.99
    dipropyl ether 928.83
    1,2-dichlorobenzene 690.97
    ethyl lactate 264.97
    propylene carbonate 683.03
    n-methylformamide 707.2
    2-pentanol 952.17
    n-pentane 378.25
    1-propoxy-2-propanol 1036.51
    1-methoxy-2-propyl acetate 611.82
    2-(2-methoxypropoxy) propanol 600.08
    mesitylene 249.16
    ε-caprolactone 935.32
    p-cymene 292.49
    epichlorohydrin 1341.73
    1,1,1-trichloroethane 1426.32
    2-aminoethanol 833.83
    morpholine-4-carbaldehyde 917.94
    sulfolane 1077.76
    2,2,4-trimethylpentane 128.51
    2-methyltetrahydrofuran 1322.4
    n-hexyl acetate 679.81
    isooctane 112.46
    2-(2-butoxyethoxy)ethanol 810.75
    sec-butyl acetate 327.04
    tert-butyl acetate 424.66
    decalin 177.98
    glycerin 566.38
    diglyme 1285.93
    acrylic acid 661.1
    isopropyl myristate 292.59
    n-butyric acid 1273.54
    acetyl acetate 419.27
    di(2-ethylhexyl) phthalate 288.21
    ethyl propionate 413.25
    nitromethane 988.37
    1,2-diethoxyethane 923.06
    benzonitrile 912.89
    trioctyl phosphate 210.98
    1-bromopropane 1418.9
    gamma-valerolactone 1147.32
    n-decanol 360.33
    triethyl phosphate 232.15
    4-methyl-2-pentanol 436.44
    propionitrile 1158.28
    vinylene carbonate 684.5
    1,1,2-trichlorotrifluoroethane 909.56
    DMS 416.17
    cumene 262.91
    2-octanol 361.7
    2-hexanone 670.34
    octyl acetate 370.45
    limonene 478.76
    1,2-dimethoxyethane 1353.98
    ethyl orthosilicate 233.55
    tributyl phosphate 258.4
    diacetone alcohol 495.25
    N,N-dimethylaniline 432.76
    acrylonitrile 1190.32
    aniline 805.01
    1,3-propanediol 929.82
    bromobenzene 1000.22
    dibromomethane 2580.08
    1,1,2,2-tetrachloroethane 1910.75
    2-methyl-cyclohexyl acetate 417.71
    tetrabutyl urea 358.1
    diisobutyl methanol 377.61
    2-phenylethanol 650.43
    styrene 558.23
    dioctyl adipate 426.2
    dimethyl sulfate 316.03
    ethyl butyrate 621.38
    methyl lactate 315.88
    butyl lactate 355.54
    diethyl carbonate 394.77
    propanediol butyl ether 656.37
    triethyl orthoformate 389.27
    p-tert-butyltoluene 271.92
    methyl 4-tert-butylbenzoate 455.47
    morpholine 1979.82
    tert-butylamine 1201.09
    n-dodecanol 287.4
    dimethoxymethane 828.0
    ethylene carbonate 589.07
    cyrene 371.89
    2-ethoxyethyl acetate 506.43
    2-ethylhexyl acetate 609.32
    1,2,4-trichlorobenzene 714.47
    4-methylpyridine 1351.37
    dibutyl ether 660.99
    2,6-dimethyl-4-heptanol 377.61
    DEF 867.9
    dimethyl isosorbide 688.51
    tetrachloroethylene 1285.52
    eugenol 457.28
    triacetin 531.84
    span 80 617.72
    1,4-butanediol 467.48
    1,1-dichloroethane 1781.41
    2-methyl-1-pentanol 817.54
    methyl formate 482.52
    2-methyl-1-butanol 1120.58
    n-decane 150.68
    butyronitrile 1407.92
    3,7-dimethyl-1-octanol 523.71
    1-chlorooctane 416.7
    1-chlorotetradecane 180.7
    n-nonane 162.52
    undecane 116.56
    tert-butylcyclohexane 163.06
    cyclooctane 172.55
    cyclopentanol 1044.61
    tetrahydropyran 1858.35
    tert-amyl methyl ether 567.9
    2,5,8-trioxanonane 942.5
    1-hexene 996.95
    2-isopropoxyethanol 577.07
    2,2,2-trifluoroethanol 210.5
    methyl butyrate 627.8

    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
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Geum montanum root Geum montanum L., fam. Rosaceae 0.04%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.02%