2-Pentanoylfuran

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  • Identifiers

    CAS number
    3194-17-0

    Molecular formula
    C9H12O2

    SMILES
    CCCCC(=O)C1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 81.15%
    Caramellic 72.83%
    Sweet 67.13%
    Green 39.3%
    Buttery 38.75%
    Nutty 36.21%
    Cheesy 31.11%
    Creamy 30.75%
    Musty 29.65%
    Berry 27.02%

     

    Flavor
    Sweet 65.38%
    Caramel 51.73%
    Oily 28.07%
    Creamy 27.02%
    Coconut 25.87%
    Nutty 24.14%
    Burnt 24.03%
    Fatty 23.97%
    Musty 23.14%
    Butter 22.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.53 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 101.00 °C. @ 10.00 mm Hg

    Flash point

    • 79.11 ˚C est.

    Solubility expt.

    • slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3194-17-0
    • 2-Pentanoylfuran
    • 1-(furan-2-yl)pentan-1-one
    • 2-Valerylfuran
    • 1-(2-Furyl)pentan-1-one
    • butyl 2-furyl ketone
    • 1-(2-Furanyl)-1-pentanone
    • 2-Pentanoylfuran [FHFI]
    • 1-Pentanone, 1-(2-furanyl)-
    • NSC-27359
    • 1-Pentanone, 1-(2-furyl)-
    • 2-Valeroylfuran
    • Butyl furyl ketone
    • UNII-B3CNH05Z42
    • 1-(2-Furyl)-1-pentanone
    • B3CNH05Z42
    • DTXSID90185779
    • 2-Pentanoyl furan
    • 2-valeryl furan
    • NSC27359
    • MFCD00053147
    • 1-(uran-2-yl)pentan-1-one
    • SCHEMBL3507027
    • 1-(2-Furyl)-1-pentanone #
    • 1-(furan-2-yl)-pentan-1-one
    • DTXCID80108270
    • CHEBI:179250
    • AKOS010980398
    • AS-58921
    • DB-225546
    • NS00122073
    • N14288
    • Q27274309

  • Applications

    2-Pentanoylfuran (CAS 3194-17-0) is a heteroaromatic ketone whose nutty, toasted caramel and chocolate aroma makes it valuable as a trace flavour ingredient in coffee, cocoa, baked goods, sauces and beverage formulations; it is also employed as a synthetic intermediate in pharmaceutical and agrochemical research because the activated carbonyl adjacent to the furan ring participates readily in condensation, reduction or coupling reactions, serves as a marker compound in Maillard reaction studies, as a GC/MS reference standard for identifying flavor volatiles in food matrices, and is naturally encountered in roasted cocoa beans, black tea and other thermally processed botanicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2111.72
    methanol 3252.97
    isopropanol 1250.0
    water 2.07
    ethyl acetate 1174.24
    n-propanol 1349.01
    acetone 2221.27
    n-butanol 1312.55
    acetonitrile 1544.04
    DMF 3017.57
    toluene 503.97
    isobutanol 1052.21
    1,4-dioxane 1471.06
    methyl acetate 1138.98
    THF 1533.1
    2-butanone 1266.03
    n-pentanol 771.85
    sec-butanol 989.24
    n-hexane 67.25
    ethylene glycol 457.04
    NMP 1482.53
    cyclohexane 176.82
    DMSO 1991.94
    n-butyl acetate 890.05
    n-octanol 366.92
    chloroform 2922.72
    n-propyl acetate 639.9
    acetic acid 1982.8
    dichloromethane 2957.31
    cyclohexanone 1719.83
    propylene glycol 483.17
    isopropyl acetate 656.02
    DMAc 1582.72
    2-ethoxyethanol 903.46
    isopentanol 1025.4
    n-heptane 47.81
    ethyl formate 933.56
    1,2-dichloroethane 1773.21
    n-hexanol 759.48
    2-methoxyethanol 1783.6
    isobutyl acetate 417.81
    tetrachloromethane 321.85
    n-pentyl acetate 454.16
    transcutol 2737.77
    n-heptanol 288.35
    ethylbenzene 280.42
    MIBK 560.69
    2-propoxyethanol 1033.03
    tert-butanol 1298.49
    MTBE 910.59
    2-butoxyethanol 498.81
    propionic acid 1030.37
    o-xylene 290.02
    formic acid 629.36
    diethyl ether 905.05
    m-xylene 308.42
    p-xylene 370.53
    chlorobenzene 965.94
    dimethyl carbonate 408.48
    n-octane 28.92
    formamide 946.58
    cyclopentanone 1433.68
    2-pentanone 1031.35
    anisole 627.45
    cyclopentyl methyl ether 679.99
    gamma-butyrolactone 1540.71
    1-methoxy-2-propanol 1099.01
    pyridine 1753.47
    3-pentanone 642.54
    furfural 1578.9
    n-dodecane 32.96
    diethylene glycol 829.21
    diisopropyl ether 219.76
    tert-amyl alcohol 964.49
    acetylacetone 1060.92
    n-hexadecane 37.96
    acetophenone 587.79
    methyl propionate 830.05
    isopentyl acetate 737.18
    trichloroethylene 3325.44
    n-nonanol 297.58
    cyclohexanol 925.51
    benzyl alcohol 626.1
    2-ethylhexanol 372.06
    isooctanol 236.53
    dipropyl ether 345.32
    1,2-dichlorobenzene 764.15
    ethyl lactate 293.52
    propylene carbonate 950.99
    n-methylformamide 1346.08
    2-pentanol 732.66
    n-pentane 71.91
    1-propoxy-2-propanol 664.41
    1-methoxy-2-propyl acetate 598.25
    2-(2-methoxypropoxy) propanol 511.86
    mesitylene 196.07
    ε-caprolactone 1186.82
    p-cymene 164.22
    epichlorohydrin 1858.48
    1,1,1-trichloroethane 1398.15
    2-aminoethanol 783.26
    morpholine-4-carbaldehyde 1367.4
    sulfolane 1506.85
    2,2,4-trimethylpentane 55.47
    2-methyltetrahydrofuran 1078.07
    n-hexyl acetate 671.63
    isooctane 46.0
    2-(2-butoxyethoxy)ethanol 705.18
    sec-butyl acetate 396.75
    tert-butyl acetate 618.44
    decalin 82.73
    glycerin 578.35
    diglyme 1258.82
    acrylic acid 942.5
    isopropyl myristate 233.55
    n-butyric acid 1579.56
    acetyl acetate 703.92
    di(2-ethylhexyl) phthalate 221.77
    ethyl propionate 514.83
    nitromethane 2332.41
    1,2-diethoxyethane 821.54
    benzonitrile 968.41
    trioctyl phosphate 162.5
    1-bromopropane 925.88
    gamma-valerolactone 1699.57
    n-decanol 212.77
    triethyl phosphate 196.42
    4-methyl-2-pentanol 352.31
    propionitrile 1201.04
    vinylene carbonate 989.85
    1,1,2-trichlorotrifluoroethane 1228.34
    DMS 510.6
    cumene 182.88
    2-octanol 224.28
    2-hexanone 671.08
    octyl acetate 293.54
    limonene 259.32
    1,2-dimethoxyethane 1407.85
    ethyl orthosilicate 192.21
    tributyl phosphate 206.84
    diacetone alcohol 661.72
    N,N-dimethylaniline 374.69
    acrylonitrile 1550.34
    aniline 756.53
    1,3-propanediol 1084.37
    bromobenzene 1007.29
    dibromomethane 1777.26
    1,1,2,2-tetrachloroethane 2273.4
    2-methyl-cyclohexyl acetate 336.52
    tetrabutyl urea 280.8
    diisobutyl methanol 220.43
    2-phenylethanol 539.94
    styrene 434.64
    dioctyl adipate 319.89
    dimethyl sulfate 519.78
    ethyl butyrate 489.79
    methyl lactate 430.26
    butyl lactate 335.64
    diethyl carbonate 348.43
    propanediol butyl ether 558.67
    triethyl orthoformate 300.22
    p-tert-butyltoluene 151.26
    methyl 4-tert-butylbenzoate 399.3
    morpholine 1780.35
    tert-butylamine 808.35
    n-dodecanol 160.6
    dimethoxymethane 1145.08
    ethylene carbonate 820.19
    cyrene 388.84
    2-ethoxyethyl acetate 593.66
    2-ethylhexyl acetate 496.83
    1,2,4-trichlorobenzene 821.42
    4-methylpyridine 1618.06
    dibutyl ether 410.04
    2,6-dimethyl-4-heptanol 220.43
    DEF 1262.71
    dimethyl isosorbide 640.29
    tetrachloroethylene 1438.39
    eugenol 434.81
    triacetin 515.94
    span 80 415.03
    1,4-butanediol 421.08
    1,1-dichloroethane 1830.17
    2-methyl-1-pentanol 653.12
    methyl formate 1058.74
    2-methyl-1-butanol 972.62
    n-decane 50.82
    butyronitrile 1383.11
    3,7-dimethyl-1-octanol 337.65
    1-chlorooctane 235.5
    1-chlorotetradecane 95.75
    n-nonane 48.04
    undecane 40.06
    tert-butylcyclohexane 73.68
    cyclooctane 42.59
    cyclopentanol 773.94
    tetrahydropyran 1404.38
    tert-amyl methyl ether 528.69
    2,5,8-trioxanonane 827.7
    1-hexene 348.91
    2-isopropoxyethanol 569.67
    2,2,2-trifluoroethanol 470.33
    methyl butyrate 798.42

    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