2-Butyl-5-methylfuran

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    51080-19-4

    Molecular formula
    C9H14O

    SMILES
    CCCCC1=CC=C(O1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 52.7%
    Burnt 52.26%
    Green 51.2%
    Fruity 48.96%
    Nutty 48.21%
    Ethereal 44.84%
    Fatty 44.7%
    Sweet 41.3%
    Meaty 40.55%
    Musty 40.03%

     

    Flavor
    Roasted 49.25%
    Earthy 45.3%
    Spicy 42.56%
    Fruity 42.45%
    Nutty 39.52%
    Burnt 39.35%
    Sweet 38.42%
    Meaty 36.78%
    Green 34.78%
    Vegetable 33.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.0 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    176°C

    Flash point

    • 50.08 ˚C est.

  • Synonyms

    • 2-butyl-5-methylfuran
    • 3857-27-0
    • Furan, 2-butyl-5-methyl-
    • SCHEMBL8143743
    • DTXSID50391551
    • AKOS024430606
    • 667-627-5

  • Applications

    2-Butyl-5-methylfuran (CAS 51080-19-4) is a hydrophobic furan derivative with roasted, nutty, caramel-like notes, leveraged in flavor formulation to enhance coffee, cocoa, roasted-nut, bakery, savory snack, and grilled/meaty profiles; it is also employed as an aroma reference/GC/MS standard for food volatiles, as a synthetic intermediate amenable to hydrogenation (giving tetrahydrofuran derivatives) and oxidation/functionalization to value-added furans in fine-chemical synthesis, and as a model molecule/precursor in research on alkylfuran-based biofuels and functional organic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2626.08
    methanol 2636.33
    isopropanol 2050.59
    water 2.58
    ethyl acetate 994.46
    n-propanol 2009.73
    acetone 1300.93
    n-butanol 2012.86
    acetonitrile 1093.74
    DMF 1477.86
    toluene 921.98
    isobutanol 1685.71
    1,4-dioxane 2694.48
    methyl acetate 903.88
    THF 2414.84
    2-butanone 979.93
    n-pentanol 1423.45
    sec-butanol 1664.12
    n-hexane 860.93
    ethylene glycol 535.72
    NMP 1043.35
    cyclohexane 940.48
    DMSO 1392.28
    n-butyl acetate 1105.6
    n-octanol 827.44
    chloroform 4675.21
    n-propyl acetate 616.81
    acetic acid 1146.57
    dichloromethane 3169.39
    cyclohexanone 1576.8
    propylene glycol 860.45
    isopropyl acetate 671.48
    DMAc 1137.32
    2-ethoxyethanol 1144.89
    isopentanol 1699.8
    n-heptane 431.33
    ethyl formate 619.21
    1,2-dichloroethane 1498.56
    n-hexanol 1972.1
    2-methoxyethanol 1696.38
    isobutyl acetate 496.78
    tetrachloromethane 824.93
    n-pentyl acetate 595.77
    transcutol 2925.01
    n-heptanol 664.74
    ethylbenzene 512.09
    MIBK 633.83
    2-propoxyethanol 1714.89
    tert-butanol 2094.59
    MTBE 1606.5
    2-butoxyethanol 792.84
    propionic acid 961.82
    o-xylene 495.52
    formic acid 342.78
    diethyl ether 1656.47
    m-xylene 512.9
    p-xylene 621.65
    chlorobenzene 1072.96
    dimethyl carbonate 291.56
    n-octane 155.54
    formamide 344.78
    cyclopentanone 1222.36
    2-pentanone 909.5
    anisole 781.5
    cyclopentyl methyl ether 1260.13
    gamma-butyrolactone 1167.23
    1-methoxy-2-propanol 1260.18
    pyridine 1812.63
    3-pentanone 661.25
    furfural 1083.86
    n-dodecane 133.36
    diethylene glycol 1064.23
    diisopropyl ether 491.38
    tert-amyl alcohol 1635.02
    acetylacetone 818.89
    n-hexadecane 146.55
    acetophenone 559.68
    methyl propionate 685.88
    isopentyl acetate 909.24
    trichloroethylene 2560.87
    n-nonanol 668.62
    cyclohexanol 1625.93
    benzyl alcohol 755.89
    2-ethylhexanol 958.24
    isooctanol 518.14
    dipropyl ether 985.13
    1,2-dichlorobenzene 820.93
    ethyl lactate 312.23
    propylene carbonate 781.27
    n-methylformamide 640.94
    2-pentanol 1256.95
    n-pentane 615.58
    1-propoxy-2-propanol 1220.74
    1-methoxy-2-propyl acetate 800.89
    2-(2-methoxypropoxy) propanol 739.69
    mesitylene 336.11
    ε-caprolactone 1233.73
    p-cymene 308.19
    epichlorohydrin 1552.09
    1,1,1-trichloroethane 1750.37
    2-aminoethanol 1030.4
    morpholine-4-carbaldehyde 1241.95
    sulfolane 1234.1
    2,2,4-trimethylpentane 224.95
    2-methyltetrahydrofuran 1912.2
    n-hexyl acetate 983.53
    isooctane 173.12
    2-(2-butoxyethoxy)ethanol 1031.48
    sec-butyl acetate 441.97
    tert-butyl acetate 684.78
    decalin 316.44
    glycerin 808.07
    diglyme 1527.29
    acrylic acid 718.52
    isopropyl myristate 382.48
    n-butyric acid 1484.63
    acetyl acetate 588.88
    di(2-ethylhexyl) phthalate 370.23
    ethyl propionate 501.55
    nitromethane 922.98
    1,2-diethoxyethane 1198.48
    benzonitrile 899.18
    trioctyl phosphate 261.5
    1-bromopropane 1605.22
    gamma-valerolactone 1439.98
    n-decanol 491.5
    triethyl phosphate 253.97
    4-methyl-2-pentanol 669.44
    propionitrile 1114.47
    vinylene carbonate 731.81
    1,1,2-trichlorotrifluoroethane 1124.33
    DMS 549.77
    cumene 354.11
    2-octanol 511.76
    2-hexanone 777.29
    octyl acetate 486.62
    limonene 544.83
    1,2-dimethoxyethane 1838.25
    ethyl orthosilicate 286.65
    tributyl phosphate 316.45
    diacetone alcohol 702.82
    N,N-dimethylaniline 544.26
    acrylonitrile 964.36
    aniline 1005.31
    1,3-propanediol 1201.56
    bromobenzene 1197.85
    dibromomethane 2515.34
    1,1,2,2-tetrachloroethane 2350.26
    2-methyl-cyclohexyl acetate 507.77
    tetrabutyl urea 411.98
    diisobutyl methanol 435.72
    2-phenylethanol 785.53
    styrene 680.12
    dioctyl adipate 483.07
    dimethyl sulfate 388.37
    ethyl butyrate 593.85
    methyl lactate 374.63
    butyl lactate 444.77
    diethyl carbonate 379.01
    propanediol butyl ether 846.7
    triethyl orthoformate 430.82
    p-tert-butyltoluene 312.46
    methyl 4-tert-butylbenzoate 542.01
    morpholine 2750.91
    tert-butylamine 1674.74
    n-dodecanol 382.34
    dimethoxymethane 965.17
    ethylene carbonate 694.69
    cyrene 489.56
    2-ethoxyethyl acetate 656.58
    2-ethylhexyl acetate 719.5
    1,2,4-trichlorobenzene 884.07
    4-methylpyridine 1575.13
    dibutyl ether 876.71
    2,6-dimethyl-4-heptanol 435.72
    DEF 969.08
    dimethyl isosorbide 867.01
    tetrachloroethylene 1633.45
    eugenol 531.24
    triacetin 652.46
    span 80 792.25
    1,4-butanediol 606.21
    1,1-dichloroethane 1931.06
    2-methyl-1-pentanol 1229.67
    methyl formate 466.1
    2-methyl-1-butanol 1606.26
    n-decane 215.34
    butyronitrile 1398.63
    3,7-dimethyl-1-octanol 730.84
    1-chlorooctane 579.91
    1-chlorotetradecane 244.96
    n-nonane 228.46
    undecane 162.39
    tert-butylcyclohexane 291.7
    cyclooctane 273.93
    cyclopentanol 1388.89
    tetrahydropyran 2625.75
    tert-amyl methyl ether 1030.68
    2,5,8-trioxanonane 1063.09
    1-hexene 1566.81
    2-isopropoxyethanol 843.55
    2,2,2-trifluoroethanol 283.14
    methyl butyrate 720.9

    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%