4-(2-Furyl)-2-butanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    699-17-2

    Molecular formula
    C8H10O2

    SMILES
    CC(=O)CCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 81.69%
    Caramellic 64.29%
    Spicy 62.69%
    Sweet 54.59%
    Woody 42.53%
    Burnt 41.43%
    Nutty 39.63%
    Herbal 36.61%
    Balsamic 36.48%
    Green 32.67%

     

    Flavor
    Sweet 75.16%
    Fruity 43.11%
    Coffee 42.46%
    Spicy 37.67%
    Caramel 36.58%
    Ethereal 33.41%
    Balsam 29.94%
    Musty 29.22%
    Nutty 27.86%
    Potato 27.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.6 (neutral)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    211°C

    Flash point

    • 74.33 ˚C est.

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 4-(2-Furyl)butan-2-one
    • 699-17-2
    • 4-(furan-2-yl)butan-2-one
    • Furfurylacetone
    • 2-Butanone, 4-(2-furanyl)-
    • 4-(2-Furyl)-2-butanone
    • 1-(2-Furyl)butan-3-one
    • 1-(2-furyl)-3-butanone
    • 4-(2-Furyl)-2-butanon
    • 1-(2-furanyl)-3-butanone
    • 2-BUTANONE, 4-(2-FURYL)-
    • BRN 0112135
    • EINECS 211-831-5
    • K3634NE7KS
    • AI3-19477
    • 1-(2-furyl)-butan-3-one
    • DTXSID2052443
    • 4-17-00-04559 (Beilstein Handbook Reference)
    • 1-(2-FURYL)BUTAN-3-ONE [FHFI]
    • UNII-K3634NE7KS
    • 4-(2-furyl)-butan-2-one
    • 4-(2-Furanyl)-2-Butanone
    • 4-(uran-2-yl)butan-2-one
    • SCHEMBL456021
    • 4-(2-furanyl)-butan-2-one
    • 3-Butanone, 1-(2-furanyl)
    • 4-(furan-2-yl)-butan-2-one
    • DTXCID4031015
    • CHEBI:179265
    • BBL028608
    • STK503446
    • AKOS000122986
    • SB61612
    • VS-08867
    • CS-0225552
    • NS00022712
    • EN300-12425
    • G22583
    • Q27281884
    • 211-831-5

  • Applications

    4-(2-Furyl)-2-butanone (CAS 699-17-2) is primarily an intermediate in fragrance and flavor chemistry, acting as a building block for the synthesis of furyl-containing aroma compounds and related additives that may be used in perfumery, cosmetics, and household products. It is also encountered as a synthetic intermediate in pharmaceutical and agrochemical research, enabling diversification of carbonyl and furan-substituted scaffolds. In polymer and coatings industries, it may be used as a precursor or specialty chemical intermediate for functionalized polymers or resin formulations. Its use is subject to local regulations and formulation limits, and proper handling and safety controls apply.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1600.48
    methanol 2623.5
    isopropanol 1090.15
    water 154.48
    ethyl acetate 460.18
    n-propanol 867.19
    acetone 707.15
    n-butanol 710.56
    acetonitrile 1156.95
    DMF 1252.84
    toluene 274.43
    isobutanol 641.02
    1,4-dioxane 1345.71
    methyl acetate 697.37
    THF 689.53
    2-butanone 568.41
    n-pentanol 451.74
    sec-butanol 704.22
    n-hexane 29.17
    ethylene glycol 663.68
    NMP 646.45
    cyclohexane 67.46
    DMSO 1038.32
    n-butyl acetate 139.94
    n-octanol 204.13
    chloroform 1270.36
    n-propyl acetate 190.26
    acetic acid 868.77
    dichloromethane 1261.84
    cyclohexanone 474.43
    propylene glycol 659.89
    isopropyl acetate 202.74
    DMAc 1424.38
    2-ethoxyethanol 827.0
    isopentanol 481.8
    n-heptane 28.37
    ethyl formate 464.14
    1,2-dichloroethane 456.51
    n-hexanol 280.87
    2-methoxyethanol 1419.44
    isobutyl acetate 109.13
    tetrachloromethane 145.72
    n-pentyl acetate 111.44
    transcutol 1277.37
    n-heptanol 144.76
    ethylbenzene 148.26
    MIBK 176.5
    2-propoxyethanol 492.62
    tert-butanol 828.39
    MTBE 397.4
    2-butoxyethanol 285.69
    propionic acid 630.76
    o-xylene 206.29
    formic acid 678.71
    diethyl ether 425.65
    m-xylene 154.84
    p-xylene 205.38
    chlorobenzene 270.1
    dimethyl carbonate 234.78
    n-octane 14.34
    formamide 971.35
    cyclopentanone 405.25
    2-pentanone 322.51
    anisole 422.5
    cyclopentyl methyl ether 305.47
    gamma-butyrolactone 529.42
    1-methoxy-2-propanol 834.38
    pyridine 737.08
    3-pentanone 289.1
    furfural 640.48
    n-dodecane 18.95
    diethylene glycol 561.75
    diisopropyl ether 82.07
    tert-amyl alcohol 584.83
    acetylacetone 319.27
    n-hexadecane 20.15
    acetophenone 314.57
    methyl propionate 413.04
    isopentyl acetate 121.88
    trichloroethylene 834.08
    n-nonanol 178.65
    cyclohexanol 471.8
    benzyl alcohol 412.39
    2-ethylhexanol 144.53
    isooctanol 108.14
    dipropyl ether 146.33
    1,2-dichlorobenzene 223.97
    ethyl lactate 154.4
    propylene carbonate 287.97
    n-methylformamide 928.74
    2-pentanol 359.1
    n-pentane 37.75
    1-propoxy-2-propanol 293.89
    1-methoxy-2-propyl acetate 192.14
    2-(2-methoxypropoxy) propanol 304.02
    mesitylene 80.47
    ε-caprolactone 411.36
    p-cymene 74.22
    epichlorohydrin 661.9
    1,1,1-trichloroethane 432.34
    2-aminoethanol 986.23
    morpholine-4-carbaldehyde 1049.53
    sulfolane 451.57
    2,2,4-trimethylpentane 25.84
    2-methyltetrahydrofuran 512.52
    n-hexyl acetate 203.88
    isooctane 13.3
    2-(2-butoxyethoxy)ethanol 410.57
    sec-butyl acetate 124.36
    tert-butyl acetate 164.53
    decalin 35.77
    glycerin 702.27
    diglyme 738.6
    acrylic acid 582.2
    isopropyl myristate 88.36
    n-butyric acid 582.74
    acetyl acetate 268.4
    di(2-ethylhexyl) phthalate 99.29
    ethyl propionate 206.45
    nitromethane 1119.23
    1,2-diethoxyethane 322.94
    benzonitrile 404.8
    trioctyl phosphate 66.66
    1-bromopropane 311.39
    gamma-valerolactone 760.76
    n-decanol 133.54
    triethyl phosphate 90.44
    4-methyl-2-pentanol 177.57
    propionitrile 642.1
    vinylene carbonate 354.03
    1,1,2-trichlorotrifluoroethane 599.81
    DMS 196.83
    cumene 98.1
    2-octanol 101.01
    2-hexanone 201.41
    octyl acetate 118.61
    limonene 104.29
    1,2-dimethoxyethane 996.09
    ethyl orthosilicate 90.04
    tributyl phosphate 81.94
    diacetone alcohol 269.97
    N,N-dimethylaniline 290.01
    acrylonitrile 768.93
    aniline 469.08
    1,3-propanediol 916.71
    bromobenzene 246.91
    dibromomethane 677.48
    1,1,2,2-tetrachloroethane 630.09
    2-methyl-cyclohexyl acetate 125.9
    tetrabutyl urea 121.87
    diisobutyl methanol 85.77
    2-phenylethanol 252.08
    styrene 206.83
    dioctyl adipate 135.25
    dimethyl sulfate 308.34
    ethyl butyrate 148.91
    methyl lactate 272.08
    butyl lactate 114.14
    diethyl carbonate 126.32
    propanediol butyl ether 325.96
    triethyl orthoformate 115.75
    p-tert-butyltoluene 68.59
    methyl 4-tert-butylbenzoate 198.33
    morpholine 1351.38
    tert-butylamine 500.94
    n-dodecanol 103.53
    dimethoxymethane 642.01
    ethylene carbonate 288.96
    cyrene 247.42
    2-ethoxyethyl acetate 196.99
    2-ethylhexyl acetate 95.18
    1,2,4-trichlorobenzene 280.77
    4-methylpyridine 720.5
    dibutyl ether 158.07
    2,6-dimethyl-4-heptanol 85.77
    DEF 527.92
    dimethyl isosorbide 325.12
    tetrachloroethylene 409.02
    eugenol 225.34
    triacetin 237.4
    span 80 228.92
    1,4-butanediol 482.32
    1,1-dichloroethane 586.48
    2-methyl-1-pentanol 328.39
    methyl formate 581.54
    2-methyl-1-butanol 495.24
    n-decane 27.75
    butyronitrile 585.12
    3,7-dimethyl-1-octanol 183.0
    1-chlorooctane 92.52
    1-chlorotetradecane 44.36
    n-nonane 25.07
    undecane 22.14
    tert-butylcyclohexane 32.37
    cyclooctane 19.0
    cyclopentanol 463.19
    tetrahydropyran 699.91
    tert-amyl methyl ether 275.14
    2,5,8-trioxanonane 548.44
    1-hexene 126.83
    2-isopropoxyethanol 431.85
    2,2,2-trifluoroethanol 349.98
    methyl butyrate 283.52

    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