1,3-Butanedione, 1-(2-furanyl)-

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  • Identifiers

    CAS number
    25790-35-6

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 77.68%
    Sweet 60.56%
    Fruity 55.51%
    Burnt 49.73%
    Nutty 46.39%
    Woody 42.79%
    Spicy 39.15%
    Creamy 37.01%
    Buttery 35.9%
    Balsamic 34.83%

     

    Flavor
    Sweet 56.74%
    Caramel 52.94%
    Nutty 41.55%
    Creamy 36.29%
    Fruity 35.71%
    Musty 34.37%
    Coffee 31.56%
    Fatty 30.42%
    Bread 29.96%
    Oily 28.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.26 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 103.93 ˚C est.

  • Synonyms

    • 1-(2-Furyl)-1,3-butanedione
    • 25790-35-6
    • 1-(furan-2-yl)butane-1,3-dione
    • 2-Furoylacetone
    • 1-(2-Furanyl)-1,3-butanedione
    • 1,3-Butanedione, 1-(2-furanyl)-
    • Furoyl acetone
    • 1-(2-Furyl)-1,3-butadione
    • Furfuryl-1,3-butanedione
    • 1,3-Butanedione, 1-(2-furyl)-
    • EINECS 247-265-0
    • AI3-11707
    • DTXSID3067150
    • 1-(2-Furyl)butane-1,3-dione
    • 1-(2-FURYL)-2,3-BUTANEDIONE
    • (2-Furoyl)acetone
    • MFCD00041759
    • PX9TQ2V5AQ
    • 2-(1,3-Dioxobutyl)furan
    • SCHEMBL183688
    • DTXCID7037393
    • 1-(2-furyl)-1,3-dioxobutane
    • CHEBI:173651
    • 1-(2-furyl)-1,3-butane dione
    • 1-(uran-2-yl)butane-1,3-dione
    • 1,3-Butanedione,1-(2-furanyl)-
    • AKOS005202767
    • FF67322
    • RS-1024
    • 1-(2-Furyl)-1,3-butanedione, 8CI
    • DB-115748
    • CS-0315005
    • NS00021950
    • E84155

  • Applications

    Regarded as a versatile synthetic building block, 1,3-Butanedione, 1-(2-furanyl)- is used as an intermediate in organic synthesis to access beta-diketone derivatives bearing a 2-furyl moiety. In the fragrance and flavor industries, it is commonly evaluated as a fragrance intermediate or odor-active precursor; in pharmaceutical development it serves as a precursor to related scaffolds and heterocyclic compounds; in polymers and coatings it can function as a specialty building block for functionalized resins and surface formulations; in research settings it supports the preparation of furyl-containing compounds and metal-ligand systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 407.61
    methanol 817.58
    isopropanol 283.56
    water 100.34
    ethyl acetate 169.67
    n-propanol 252.13
    acetone 391.96
    n-butanol 219.8
    acetonitrile 357.38
    DMF 1092.61
    toluene 68.37
    isobutanol 189.98
    1,4-dioxane 473.75
    methyl acetate 253.88
    THF 388.72
    2-butanone 232.1
    n-pentanol 160.72
    sec-butanol 205.64
    n-hexane 11.06
    ethylene glycol 273.93
    NMP 662.0
    cyclohexane 21.91
    DMSO 743.63
    n-butyl acetate 68.07
    n-octanol 94.88
    chloroform 226.01
    n-propyl acetate 103.78
    acetic acid 303.28
    dichloromethane 308.93
    cyclohexanone 236.43
    propylene glycol 204.22
    isopropyl acetate 82.3
    DMAc 1050.8
    2-ethoxyethanol 362.87
    isopentanol 165.73
    n-heptane 11.78
    ethyl formate 233.49
    1,2-dichloroethane 168.66
    n-hexanol 105.64
    2-methoxyethanol 675.28
    isobutyl acetate 58.4
    tetrachloromethane 24.03
    n-pentyl acetate 46.69
    transcutol 489.05
    n-heptanol 56.9
    ethylbenzene 61.41
    MIBK 100.78
    2-propoxyethanol 241.13
    tert-butanol 313.11
    MTBE 137.64
    2-butoxyethanol 116.56
    propionic acid 197.48
    o-xylene 83.5
    formic acid 275.23
    diethyl ether 142.24
    m-xylene 63.77
    p-xylene 81.9
    chlorobenzene 86.45
    dimethyl carbonate 146.77
    n-octane 6.25
    formamide 415.76
    cyclopentanone 263.73
    2-pentanone 162.77
    anisole 181.42
    cyclopentyl methyl ether 144.53
    gamma-butyrolactone 307.11
    1-methoxy-2-propanol 374.09
    pyridine 213.37
    3-pentanone 144.1
    furfural 352.98
    n-dodecane 10.21
    diethylene glycol 322.14
    diisopropyl ether 33.6
    tert-amyl alcohol 214.8
    acetylacetone 181.72
    n-hexadecane 10.93
    acetophenone 162.45
    methyl propionate 196.03
    isopentyl acetate 62.9
    trichloroethylene 251.13
    n-nonanol 82.9
    cyclohexanol 172.22
    benzyl alcohol 170.0
    2-ethylhexanol 68.48
    isooctanol 45.65
    dipropyl ether 74.91
    1,2-dichlorobenzene 95.61
    ethyl lactate 106.37
    propylene carbonate 179.34
    n-methylformamide 494.8
    2-pentanol 120.15
    n-pentane 12.04
    1-propoxy-2-propanol 150.92
    1-methoxy-2-propyl acetate 109.17
    2-(2-methoxypropoxy) propanol 182.82
    mesitylene 41.79
    ε-caprolactone 197.02
    p-cymene 41.85
    epichlorohydrin 315.52
    1,1,1-trichloroethane 107.85
    2-aminoethanol 310.1
    morpholine-4-carbaldehyde 610.26
    sulfolane 364.7
    2,2,4-trimethylpentane 9.87
    2-methyltetrahydrofuran 217.53
    n-hexyl acetate 91.84
    isooctane 6.09
    2-(2-butoxyethoxy)ethanol 208.63
    sec-butyl acetate 60.7
    tert-butyl acetate 84.23
    decalin 14.62
    glycerin 300.07
    diglyme 353.96
    acrylic acid 207.2
    isopropyl myristate 51.13
    n-butyric acid 174.16
    acetyl acetate 106.89
    di(2-ethylhexyl) phthalate 61.17
    ethyl propionate 120.14
    nitromethane 507.54
    1,2-diethoxyethane 129.89
    benzonitrile 167.56
    trioctyl phosphate 46.53
    1-bromopropane 90.81
    gamma-valerolactone 377.66
    n-decanol 66.99
    triethyl phosphate 60.89
    4-methyl-2-pentanol 68.2
    propionitrile 209.57
    vinylene carbonate 201.71
    1,1,2-trichlorotrifluoroethane 246.29
    DMS 110.14
    cumene 48.84
    2-octanol 44.24
    2-hexanone 116.89
    octyl acetate 66.92
    limonene 57.03
    1,2-dimethoxyethane 539.13
    ethyl orthosilicate 56.9
    tributyl phosphate 55.6
    diacetone alcohol 152.02
    N,N-dimethylaniline 162.98
    acrylonitrile 287.1
    aniline 136.46
    1,3-propanediol 335.51
    bromobenzene 71.4
    dibromomethane 155.06
    1,1,2,2-tetrachloroethane 194.51
    2-methyl-cyclohexyl acetate 74.73
    tetrabutyl urea 96.75
    diisobutyl methanol 42.89
    2-phenylethanol 106.28
    styrene 72.86
    dioctyl adipate 81.08
    dimethyl sulfate 222.68
    ethyl butyrate 85.76
    methyl lactate 166.53
    butyl lactate 64.35
    diethyl carbonate 75.01
    propanediol butyl ether 148.51
    triethyl orthoformate 68.0
    p-tert-butyltoluene 38.9
    methyl 4-tert-butylbenzoate 118.93
    morpholine 464.76
    tert-butylamine 168.79
    n-dodecanol 56.26
    dimethoxymethane 448.93
    ethylene carbonate 160.64
    cyrene 183.79
    2-ethoxyethyl acetate 76.75
    2-ethylhexyl acetate 48.97
    1,2,4-trichlorobenzene 112.45
    4-methylpyridine 241.0
    dibutyl ether 76.16
    2,6-dimethyl-4-heptanol 42.89
    DEF 325.92
    dimethyl isosorbide 214.69
    tetrachloroethylene 116.43
    eugenol 133.38
    triacetin 122.68
    span 80 121.97
    1,4-butanediol 185.42
    1,1-dichloroethane 146.92
    2-methyl-1-pentanol 130.26
    methyl formate 412.29
    2-methyl-1-butanol 164.4
    n-decane 13.46
    butyronitrile 195.95
    3,7-dimethyl-1-octanol 88.25
    1-chlorooctane 44.72
    1-chlorotetradecane 25.52
    n-nonane 11.99
    undecane 11.48
    tert-butylcyclohexane 14.16
    cyclooctane 7.77
    cyclopentanol 177.94
    tetrahydropyran 229.55
    tert-amyl methyl ether 113.87
    2,5,8-trioxanonane 299.49
    1-hexene 42.59
    2-isopropoxyethanol 199.28
    2,2,2-trifluoroethanol 151.52
    methyl butyrate 168.21

    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