Ethyl 2-furanyl diketone

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  • Identifiers

    CAS number
    1438-90-0

    Molecular formula
    C8H8O3

    SMILES
    CCC(=O)C(=O)C1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 81.97%
    Sweet 53.02%
    Nutty 47.02%
    Buttery 46.8%
    Burnt 46.55%
    Fruity 43.41%
    Creamy 37.95%
    Fatty 33.89%
    Coffee 31.84%
    Roasted 28.18%

     

    Flavor
    Caramel 52.32%
    Nutty 39.25%
    Sweet 35.35%
    Creamy 34.65%
    Buttery 33.52%
    Fruity 30.04%
    Bread 29.05%
    Oily 26.55%
    Musty 25.32%
    Popcorn 24.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.34 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 88.98 ˚C est.

  • Synonyms

    • Ethyl 2-furanyl diketone
    • 1-(furan-2-yl)butane-1,2-dione
    • 1-(2-Furanyl)-1,2-butanedione
    • 1438-90-0
    • SCHEMBL9577885
    • CHEBI:173648
    • DTXSID401306966
    • 1-(uran-2-yl)butane-1,2-dione
    • 1438-90-0

  • Applications

    Ethyl 2-furanyl diketone, CAS 1438-90-0, is a synthetic intermediate used across multiple industrial applications. It commonly serves as a building block or precursor in organic synthesis to access more complex compounds, and is considered a potential component in fragrance and cosmetic formulations (as an odor-active ingredient or scent precursor). It may be employed in coatings and inks as a functional intermediate, and provides a building block for polymer and plastic material development. Additional potential use includes serving as a precursor in pharmaceutical research and related specialty chemical syntheses, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 250.66
    methanol 410.02
    isopropanol 173.4
    water 14.07
    ethyl acetate 221.65
    n-propanol 188.04
    acetone 448.49
    n-butanol 185.06
    acetonitrile 379.58
    DMF 1324.45
    toluene 159.52
    isobutanol 146.03
    1,4-dioxane 327.45
    methyl acetate 347.2
    THF 323.84
    2-butanone 321.77
    n-pentanol 168.08
    sec-butanol 183.51
    n-hexane 15.19
    ethylene glycol 179.77
    NMP 839.14
    cyclohexane 36.49
    DMSO 822.58
    n-butyl acetate 164.89
    n-octanol 165.08
    chloroform 834.57
    n-propyl acetate 173.81
    acetic acid 314.51
    dichloromethane 1119.94
    cyclohexanone 447.61
    propylene glycol 118.11
    isopropyl acetate 118.85
    DMAc 960.75
    2-ethoxyethanol 301.1
    isopentanol 150.42
    n-heptane 18.41
    ethyl formate 328.2
    1,2-dichloroethane 616.54
    n-hexanol 139.5
    2-methoxyethanol 490.37
    isobutyl acetate 87.18
    tetrachloromethane 122.66
    n-pentyl acetate 141.97
    transcutol 523.84
    n-heptanol 109.45
    ethylbenzene 127.05
    MIBK 125.9
    2-propoxyethanol 227.6
    tert-butanol 182.28
    MTBE 141.31
    2-butoxyethanol 185.11
    propionic acid 223.34
    o-xylene 159.77
    formic acid 209.5
    diethyl ether 134.05
    m-xylene 122.97
    p-xylene 183.37
    chlorobenzene 320.45
    dimethyl carbonate 205.25
    n-octane 16.64
    formamide 433.54
    cyclopentanone 430.17
    2-pentanone 215.78
    anisole 255.03
    cyclopentyl methyl ether 155.37
    gamma-butyrolactone 480.85
    1-methoxy-2-propanol 294.79
    pyridine 492.35
    3-pentanone 205.27
    furfural 710.43
    n-dodecane 20.83
    diethylene glycol 273.28
    diisopropyl ether 41.77
    tert-amyl alcohol 185.7
    acetylacetone 285.11
    n-hexadecane 23.57
    acetophenone 288.11
    methyl propionate 272.45
    isopentyl acetate 134.81
    trichloroethylene 1144.14
    n-nonanol 136.97
    cyclohexanol 188.5
    benzyl alcohol 262.85
    2-ethylhexanol 100.82
    isooctanol 85.14
    dipropyl ether 88.53
    1,2-dichlorobenzene 361.11
    ethyl lactate 139.47
    propylene carbonate 332.76
    n-methylformamide 606.62
    2-pentanol 109.72
    n-pentane 18.37
    1-propoxy-2-propanol 167.07
    1-methoxy-2-propyl acetate 155.89
    2-(2-methoxypropoxy) propanol 202.58
    mesitylene 86.67
    ε-caprolactone 338.74
    p-cymene 84.69
    epichlorohydrin 535.05
    1,1,1-trichloroethane 384.56
    2-aminoethanol 204.45
    morpholine-4-carbaldehyde 620.48
    sulfolane 649.93
    2,2,4-trimethylpentane 17.07
    2-methyltetrahydrofuran 222.97
    n-hexyl acetate 223.45
    isooctane 11.92
    2-(2-butoxyethoxy)ethanol 260.4
    sec-butyl acetate 93.7
    tert-butyl acetate 120.73
    decalin 30.16
    glycerin 205.86
    diglyme 504.7
    acrylic acid 277.69
    isopropyl myristate 90.35
    n-butyric acid 225.15
    acetyl acetate 159.59
    di(2-ethylhexyl) phthalate 102.03
    ethyl propionate 162.96
    nitromethane 710.23
    1,2-diethoxyethane 177.67
    benzonitrile 378.58
    trioctyl phosphate 83.93
    1-bromopropane 231.18
    gamma-valerolactone 522.6
    n-decanol 102.74
    triethyl phosphate 98.06
    4-methyl-2-pentanol 69.24
    propionitrile 269.03
    vinylene carbonate 395.34
    1,1,2-trichlorotrifluoroethane 458.67
    DMS 201.68
    cumene 92.12
    2-octanol 100.25
    2-hexanone 173.18
    octyl acetate 121.29
    limonene 109.38
    1,2-dimethoxyethane 490.09
    ethyl orthosilicate 84.08
    tributyl phosphate 93.86
    diacetone alcohol 174.29
    N,N-dimethylaniline 207.89
    acrylonitrile 454.97
    aniline 215.3
    1,3-propanediol 235.85
    bromobenzene 343.05
    dibromomethane 607.51
    1,1,2,2-tetrachloroethane 781.42
    2-methyl-cyclohexyl acetate 120.14
    tetrabutyl urea 149.73
    diisobutyl methanol 66.48
    2-phenylethanol 183.16
    styrene 171.53
    dioctyl adipate 143.78
    dimethyl sulfate 340.29
    ethyl butyrate 148.62
    methyl lactate 205.87
    butyl lactate 133.53
    diethyl carbonate 137.57
    propanediol butyl ether 205.08
    triethyl orthoformate 104.78
    p-tert-butyltoluene 75.43
    methyl 4-tert-butylbenzoate 215.76
    morpholine 337.54
    tert-butylamine 117.2
    n-dodecanol 82.39
    dimethoxymethane 406.82
    ethylene carbonate 290.25
    cyrene 208.36
    2-ethoxyethyl acetate 170.83
    2-ethylhexyl acetate 108.19
    1,2,4-trichlorobenzene 372.55
    4-methylpyridine 439.55
    dibutyl ether 121.58
    2,6-dimethyl-4-heptanol 66.48
    DEF 418.17
    dimethyl isosorbide 257.14
    tetrachloroethylene 572.9
    eugenol 227.02
    triacetin 209.89
    span 80 160.46
    1,4-butanediol 150.06
    1,1-dichloroethane 425.42
    2-methyl-1-pentanol 145.06
    methyl formate 530.44
    2-methyl-1-butanol 158.08
    n-decane 29.16
    butyronitrile 287.18
    3,7-dimethyl-1-octanol 122.67
    1-chlorooctane 116.59
    1-chlorotetradecane 53.39
    n-nonane 27.87
    undecane 23.95
    tert-butylcyclohexane 24.57
    cyclooctane 14.48
    cyclopentanol 190.31
    tetrahydropyran 212.15
    tert-amyl methyl ether 131.82
    2,5,8-trioxanonane 362.48
    1-hexene 62.89
    2-isopropoxyethanol 181.14
    2,2,2-trifluoroethanol 161.74
    methyl butyrate 257.54

    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