2-Butanoyl-5-methylfuran

Overview IFRA Request a quote

  • Identifiers

    CAS number
    90673-55-5

    Molecular formula
    C9H12O2

    SMILES
    CCCC(=O)C1=CC=C(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 68.05%
    Nutty 55.38%
    Sweet 54.7%
    Fruity 44.8%
    Green 43.79%
    Roasted 42.26%
    Buttery 37.53%
    Musty 35.32%
    Burnt 33.48%
    Earthy 32.26%

     

    Flavor
    Sweet 65.53%
    Caramel 56.95%
    Fruity 35.77%
    Nutty 35.22%
    Creamy 31.21%
    Burnt 30.8%
    Coffee 30.78%
    Musty 29.18%
    Potato 26.87%
    Coconut 26.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.72 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    225°C

    Flash point

    • 74.82 ˚C est.

  • Synonyms

    • 1-(5-methylfuran-2-yl)butan-1-one
    • 2-Butanoyl-5-methylfuran
    • 90673-55-5
    • 5-Methyl-2-butyrylfuran
    • NSC80401
    • SCHEMBL14472222
    • DTXSID60292126
    • IFHKZUYQKMDHIN-UHFFFAOYSA-N
    • NSC-80401
    • AKOS010982833
    • 1-(5-Methyl-2-furyl)-1-butanone #
    • 1-Butanone,1-(5-methyl-2-furanyl)-
    • DS-002783
    • Q63408822
    • 90673-55-5

  • Applications

    2-Butanoyl-5-methylfuran is primarily used as an organic synthesis intermediate, with practical applications as a fragrance/odorant component and as an aroma or flavor intermediate in perfumery, cosmetics, and flavor formulations; it can also serve as a specialty building block in industrial manufacturing and as an intermediate in the synthesis of pharmaceuticals and agrochemicals; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 994.11
    methanol 1504.56
    isopropanol 824.34
    water 8.37
    ethyl acetate 376.54
    n-propanol 776.94
    acetone 777.81
    n-butanol 791.2
    acetonitrile 624.46
    DMF 1506.4
    toluene 364.63
    isobutanol 661.89
    1,4-dioxane 919.12
    methyl acetate 460.45
    THF 906.4
    2-butanone 535.58
    n-pentanol 608.82
    sec-butanol 683.87
    n-hexane 86.24
    ethylene glycol 347.33
    NMP 895.12
    cyclohexane 146.64
    DMSO 846.21
    n-butyl acetate 386.99
    n-octanol 338.3
    chloroform 2136.37
    n-propyl acetate 274.08
    acetic acid 799.96
    dichloromethane 1730.57
    cyclohexanone 804.43
    propylene glycol 359.56
    isopropyl acetate 258.01
    DMAc 1063.38
    2-ethoxyethanol 597.56
    isopentanol 677.32
    n-heptane 52.05
    ethyl formate 435.2
    1,2-dichloroethane 831.75
    n-hexanol 536.79
    2-methoxyethanol 1008.38
    isobutyl acetate 199.89
    tetrachloromethane 287.95
    n-pentyl acetate 250.78
    transcutol 1068.41
    n-heptanol 249.36
    ethylbenzene 256.94
    MIBK 302.84
    2-propoxyethanol 635.68
    tert-butanol 858.21
    MTBE 536.69
    2-butoxyethanol 353.01
    propionic acid 505.08
    o-xylene 261.99
    formic acid 320.23
    diethyl ether 421.3
    m-xylene 246.98
    p-xylene 348.11
    chlorobenzene 561.12
    dimethyl carbonate 221.1
    n-octane 36.58
    formamide 382.44
    cyclopentanone 744.23
    2-pentanone 432.71
    anisole 450.21
    cyclopentyl methyl ether 392.68
    gamma-butyrolactone 767.55
    1-methoxy-2-propanol 655.05
    pyridine 849.95
    3-pentanone 316.68
    furfural 892.7
    n-dodecane 42.36
    diethylene glycol 578.66
    diisopropyl ether 137.04
    tert-amyl alcohol 698.77
    acetylacetone 454.38
    n-hexadecane 47.19
    acetophenone 393.51
    methyl propionate 341.79
    isopentyl acetate 345.7
    trichloroethylene 1667.08
    n-nonanol 266.36
    cyclohexanol 647.5
    benzyl alcohol 451.83
    2-ethylhexanol 281.14
    isooctanol 199.93
    dipropyl ether 208.27
    1,2-dichlorobenzene 487.66
    ethyl lactate 204.67
    propylene carbonate 519.08
    n-methylformamide 605.65
    2-pentanol 484.42
    n-pentane 80.37
    1-propoxy-2-propanol 399.33
    1-methoxy-2-propyl acetate 309.67
    2-(2-methoxypropoxy) propanol 370.97
    mesitylene 165.42
    ε-caprolactone 614.34
    p-cymene 146.02
    epichlorohydrin 856.55
    1,1,1-trichloroethane 796.09
    2-aminoethanol 534.94
    morpholine-4-carbaldehyde 842.71
    sulfolane 900.1
    2,2,4-trimethylpentane 62.29
    2-methyltetrahydrofuran 616.12
    n-hexyl acetate 413.59
    isooctane 44.4
    2-(2-butoxyethoxy)ethanol 461.45
    sec-butyl acetate 200.06
    tert-butyl acetate 300.09
    decalin 86.93
    glycerin 450.58
    diglyme 740.99
    acrylic acid 494.93
    isopropyl myristate 172.29
    n-butyric acid 663.65
    acetyl acetate 293.79
    di(2-ethylhexyl) phthalate 180.19
    ethyl propionate 252.98
    nitromethane 853.1
    1,2-diethoxyethane 350.36
    benzonitrile 579.55
    trioctyl phosphate 128.85
    1-bromopropane 538.01
    gamma-valerolactone 908.32
    n-decanol 197.57
    triethyl phosphate 150.25
    4-methyl-2-pentanol 261.15
    propionitrile 571.61
    vinylene carbonate 559.32
    1,1,2-trichlorotrifluoroethane 659.89
    DMS 294.78
    cumene 183.12
    2-octanol 209.62
    2-hexanone 346.3
    octyl acetate 226.5
    limonene 202.51
    1,2-dimethoxyethane 904.95
    ethyl orthosilicate 147.97
    tributyl phosphate 155.94
    diacetone alcohol 368.8
    N,N-dimethylaniline 326.95
    acrylonitrile 674.71
    aniline 461.33
    1,3-propanediol 675.66
    bromobenzene 594.59
    dibromomethane 1130.4
    1,1,2,2-tetrachloroethane 1256.55
    2-methyl-cyclohexyl acetate 228.42
    tetrabutyl urea 211.61
    diisobutyl methanol 165.92
    2-phenylethanol 376.81
    styrene 344.86
    dioctyl adipate 231.47
    dimethyl sulfate 343.71
    ethyl butyrate 257.86
    methyl lactate 246.06
    butyl lactate 220.58
    diethyl carbonate 213.59
    propanediol butyl ether 404.73
    triethyl orthoformate 184.77
    p-tert-butyltoluene 141.79
    methyl 4-tert-butylbenzoate 316.7
    morpholine 958.43
    tert-butylamine 593.44
    n-dodecanol 156.13
    dimethoxymethane 567.53
    ethylene carbonate 447.04
    cyrene 310.35
    2-ethoxyethyl acetate 283.57
    2-ethylhexyl acetate 259.93
    1,2,4-trichlorobenzene 542.75
    4-methylpyridine 857.5
    dibutyl ether 263.05
    2,6-dimethyl-4-heptanol 165.92
    DEF 578.45
    dimethyl isosorbide 435.88
    tetrachloroethylene 847.14
    eugenol 351.85
    triacetin 321.27
    span 80 315.96
    1,4-butanediol 364.08
    1,1-dichloroethane 923.31
    2-methyl-1-pentanol 532.12
    methyl formate 522.75
    2-methyl-1-butanol 632.59
    n-decane 63.23
    butyronitrile 685.77
    3,7-dimethyl-1-octanol 275.04
    1-chlorooctane 216.38
    1-chlorotetradecane 98.37
    n-nonane 62.86
    undecane 50.15
    tert-butylcyclohexane 80.27
    cyclooctane 45.41
    cyclopentanol 586.4
    tetrahydropyran 733.3
    tert-amyl methyl ether 382.43
    2,5,8-trioxanonane 559.46
    1-hexene 309.67
    2-isopropoxyethanol 396.37
    2,2,2-trifluoroethanol 257.89
    methyl butyrate 394.36

    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