4-(5-Methyl-2-furyl)-2-butanone

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  • Identifiers

    CAS number
    13679-56-6

    Molecular formula
    C9H12O2

    SMILES
    CC1=CC=C(O1)CCC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.03%
    Caramellic 57.63%
    Sweet 50.55%
    Nutty 47.47%
    Green 45.72%
    Spicy 44.59%
    Roasted 40.2%
    Burnt 39.4%
    Earthy 37.44%
    Musty 34.11%

     

    Flavor
    Sweet 58.24%
    Spicy 39.22%
    Coffee 38.19%
    Fruity 36.88%
    Nutty 31.92%
    Caramel 31.65%
    Roasted 31.13%
    Earthy 31.08%
    Burnt 30.86%
    Musty 30.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.7 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 82.64 ˚C est.

  • Synonyms

    • 13679-56-6
    • 4-(5-Methyl-2-furyl)-2-butanone
    • DTXSID90335277
    • RefChem:1070006
    • DTXCID40286366
    • 4-(5-methylfuran-2-yl)butan-2-one
    • 4-(5-Methyl-2-furanyl)-2-butanone
    • 2-Butanone, 4-(5-methyl-2-furanyl)-
    • 4-(5-methyl-2-furyl)butan-2-one
    • SCHEMBL8806385
    • CHEBI:177922
    • CWKYCXPGVIFXOH-UHFFFAOYSA-N
    • Furan, 2-methyl-5-(3-oxobutyl)
    • 4-(5-methyluran-2-yl)butan-2-one
    • AKOS002663196
    • 2-Butanone-4-(5-methyl-2-furanyl)-
    • 4-(5-methyl-furan-2-yl)-butan-2-one
    • DA-22414
    • EN300-1859846
    • InChI=1/C9H12O2/c1-7(10)3-5-9-6-4-8(2)11-9/h4,6H,3,5H2,1-2H
    • 13679-56-6

  • Applications

    4-(5-Methyl-2-furyl)-2-butanone (CAS 13679-56-6) is commonly used as an aroma/fragrance intermediate and a flavor precursor; it can contribute furyl-caramel-like notes in perfumery and flavor applications; in cosmetics and personal care, it may serve as a fragrance ingredient; in household products such as cleaners and air fresheners it provides scent enhancement; in industrial manufacturing it can function as an intermediate in fragrance synthesis and may be used in coatings and inks as an aroma additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1288.62
    methanol 1976.53
    isopropanol 925.65
    water 94.29
    ethyl acetate 441.07
    n-propanol 795.85
    acetone 947.18
    n-butanol 635.88
    acetonitrile 824.14
    DMF 1954.86
    toluene 244.0
    isobutanol 542.53
    1,4-dioxane 1110.18
    methyl acetate 748.63
    THF 759.75
    2-butanone 718.58
    n-pentanol 401.98
    sec-butanol 678.38
    n-hexane 43.04
    ethylene glycol 654.59
    NMP 1112.95
    cyclohexane 36.24
    DMSO 1320.44
    n-butyl acetate 150.4
    n-octanol 146.11
    chloroform 1499.15
    n-propyl acetate 189.27
    acetic acid 966.7
    dichloromethane 1193.19
    cyclohexanone 520.88
    propylene glycol 717.16
    isopropyl acetate 229.46
    DMAc 2193.16
    2-ethoxyethanol 938.09
    isopentanol 488.26
    n-heptane 14.14
    ethyl formate 381.03
    1,2-dichloroethane 559.27
    n-hexanol 239.59
    2-methoxyethanol 1578.15
    isobutyl acetate 138.72
    tetrachloromethane 199.47
    n-pentyl acetate 124.45
    transcutol 1478.07
    n-heptanol 113.44
    ethylbenzene 134.89
    MIBK 231.07
    2-propoxyethanol 554.65
    tert-butanol 798.66
    MTBE 533.76
    2-butoxyethanol 278.23
    propionic acid 750.08
    o-xylene 162.31
    formic acid 851.72
    diethyl ether 455.58
    m-xylene 139.61
    p-xylene 183.61
    chlorobenzene 315.91
    dimethyl carbonate 261.54
    n-octane 7.31
    formamide 1089.93
    cyclopentanone 571.23
    2-pentanone 374.85
    anisole 421.05
    cyclopentyl methyl ether 326.47
    gamma-butyrolactone 663.6
    1-methoxy-2-propanol 949.09
    pyridine 699.75
    3-pentanone 328.05
    furfural 823.76
    n-dodecane 8.82
    diethylene glycol 659.66
    diisopropyl ether 93.48
    tert-amyl alcohol 636.68
    acetylacetone 442.4
    n-hexadecane 9.87
    acetophenone 334.85
    methyl propionate 432.74
    isopentyl acetate 160.73
    trichloroethylene 1159.66
    n-nonanol 124.18
    cyclohexanol 368.79
    benzyl alcohol 391.24
    2-ethylhexanol 124.04
    isooctanol 92.12
    dipropyl ether 109.65
    1,2-dichlorobenzene 291.0
    ethyl lactate 176.83
    propylene carbonate 347.53
    n-methylformamide 1024.41
    2-pentanol 351.83
    n-pentane 35.49
    1-propoxy-2-propanol 284.53
    1-methoxy-2-propyl acetate 239.08
    2-(2-methoxypropoxy) propanol 312.45
    mesitylene 77.74
    ε-caprolactone 475.71
    p-cymene 55.47
    epichlorohydrin 818.36
    1,1,1-trichloroethane 617.23
    2-aminoethanol 949.34
    morpholine-4-carbaldehyde 1288.77
    sulfolane 695.74
    2,2,4-trimethylpentane 27.98
    2-methyltetrahydrofuran 605.96
    n-hexyl acetate 229.29
    isooctane 14.33
    2-(2-butoxyethoxy)ethanol 420.14
    sec-butyl acetate 151.36
    tert-butyl acetate 230.34
    decalin 32.98
    glycerin 898.0
    diglyme 720.74
    acrylic acid 749.05
    isopropyl myristate 78.76
    n-butyric acid 560.22
    acetyl acetate 291.21
    di(2-ethylhexyl) phthalate 107.28
    ethyl propionate 196.63
    nitromethane 1415.82
    1,2-diethoxyethane 288.58
    benzonitrile 353.25
    trioctyl phosphate 59.78
    1-bromopropane 332.08
    gamma-valerolactone 973.65
    n-decanol 85.55
    triethyl phosphate 89.64
    4-methyl-2-pentanol 183.55
    propionitrile 500.93
    vinylene carbonate 401.73
    1,1,2-trichlorotrifluoroethane 868.43
    DMS 258.24
    cumene 92.9
    2-octanol 77.9
    2-hexanone 245.5
    octyl acetate 103.55
    limonene 80.13
    1,2-dimethoxyethane 1024.76
    ethyl orthosilicate 93.48
    tributyl phosphate 85.09
    diacetone alcohol 348.15
    N,N-dimethylaniline 292.26
    acrylonitrile 661.85
    aniline 451.48
    1,3-propanediol 908.02
    bromobenzene 291.89
    dibromomethane 665.92
    1,1,2,2-tetrachloroethane 929.02
    2-methyl-cyclohexyl acetate 124.53
    tetrabutyl urea 114.36
    diisobutyl methanol 67.57
    2-phenylethanol 228.14
    styrene 190.21
    dioctyl adipate 121.82
    dimethyl sulfate 449.44
    ethyl butyrate 120.26
    methyl lactate 339.14
    butyl lactate 136.92
    diethyl carbonate 104.47
    propanediol butyl ether 351.29
    triethyl orthoformate 106.72
    p-tert-butyltoluene 56.53
    methyl 4-tert-butylbenzoate 215.25
    morpholine 1237.89
    tert-butylamine 453.05
    n-dodecanol 63.15
    dimethoxymethane 691.9
    ethylene carbonate 312.57
    cyrene 299.44
    2-ethoxyethyl acetate 236.13
    2-ethylhexyl acetate 126.72
    1,2,4-trichlorobenzene 403.11
    4-methylpyridine 763.31
    dibutyl ether 126.94
    2,6-dimethyl-4-heptanol 67.57
    DEF 598.94
    dimethyl isosorbide 344.01
    tetrachloroethylene 604.23
    eugenol 240.69
    triacetin 277.53
    span 80 225.4
    1,4-butanediol 408.99
    1,1-dichloroethane 706.85
    2-methyl-1-pentanol 346.82
    methyl formate 639.86
    2-methyl-1-butanol 491.28
    n-decane 14.78
    butyronitrile 438.13
    3,7-dimethyl-1-octanol 144.55
    1-chlorooctane 74.83
    1-chlorotetradecane 29.02
    n-nonane 13.47
    undecane 10.94
    tert-butylcyclohexane 33.48
    cyclooctane 11.63
    cyclopentanol 419.77
    tetrahydropyran 577.87
    tert-amyl methyl ether 362.71
    2,5,8-trioxanonane 492.22
    1-hexene 152.58
    2-isopropoxyethanol 488.69
    2,2,2-trifluoroethanol 450.72
    methyl butyrate 271.3

    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