1-(5-Methyl-2-furanyl)-1,2-propanedione

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  • Identifiers

    CAS number
    1197-20-2

    Molecular formula
    C8H8O3

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

  • Odor profile

    Fragrance
    Caramellic 77.44%
    Sweet 58.06%
    Nutty 53.19%
    Burnt 45.39%
    Buttery 42.42%
    Creamy 38.43%
    Roasted 37.87%
    Coumarinic 35.27%
    Fatty 33.46%
    Hay 32.91%

     

    Flavor
    Caramel 52.05%
    Sweet 45.96%
    Nutty 45.11%
    Creamy 39.15%
    Musty 34.15%
    Fruity 30.88%
    Bread 30.83%
    Buttery 30.16%
    Tobacco 29.57%
    Oily 27.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.67 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 84.38 ˚C est.

  • Synonyms

    • 1-(5-Methyl-2-furanyl)-1,2-propanedione
    • 1-(5-Methyl-2-furyl)propane-1,2-dione
    • 1197-20-2
    • 1-(5-methylfuran-2-yl)propane-1,2-dione
    • EINECS 214-820-3
    • UNII-1R75B93FCI
    • 1R75B93FCI
    • 1-(5-methyl-2-furyI)-1,2-propanedione
    • 1,2-Propanedione, 1-(5-methyl-2-furanyl)-
    • DTXSID10152549
    • 1,2-PROPANEDIONE, 1-(5-METHYL-2-FURYL)-
    • DTXCID3075040
    • SCHEMBL11539386
    • CHEBI:173649
    • 1-(5-methyluran-2-yl)propane-1,2-dione
    • NS00023875
    • Q27252790

  • Applications

    1-(5-Methyl-2-furanyl)-1,2-propanedione (CAS 1197-20-2) is primarily regarded as an organic synthesis intermediate and is evaluated for practical applications across fragrance, flavor, cosmetics/personal care, industrial manufacturing, and pharmaceutical research. In perfumery, it may serve as a fragrance intermediate or aroma-building block; in flavors, as a precursor for furyl-related flavor notes; in cosmetics/personal care, as a synthetic intermediate for fragrance compounds or colorants used in formulations; in industrial manufacturing, as a building block for more complex organic materials; and in pharmaceutical research, as a scaffold for the preparation of novel heterocyclic or diketone-derived compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 174.3
    methanol 309.47
    isopropanol 133.73
    water 20.89
    ethyl acetate 138.33
    n-propanol 133.68
    acetone 328.18
    n-butanol 120.14
    acetonitrile 211.89
    DMF 766.0
    toluene 104.69
    isobutanol 110.77
    1,4-dioxane 387.94
    methyl acetate 230.17
    THF 373.91
    2-butanone 189.41
    n-pentanol 94.83
    sec-butanol 125.03
    n-hexane 15.42
    ethylene glycol 102.56
    NMP 624.16
    cyclohexane 36.98
    DMSO 468.76
    n-butyl acetate 82.25
    n-octanol 85.88
    chloroform 336.87
    n-propyl acetate 90.61
    acetic acid 167.86
    dichloromethane 451.86
    cyclohexanone 285.55
    propylene glycol 81.79
    isopropyl acetate 79.2
    DMAc 713.79
    2-ethoxyethanol 174.12
    isopentanol 101.61
    n-heptane 15.37
    ethyl formate 196.57
    1,2-dichloroethane 238.39
    n-hexanol 93.54
    2-methoxyethanol 326.91
    isobutyl acetate 57.4
    tetrachloromethane 51.59
    n-pentyl acetate 63.17
    transcutol 252.08
    n-heptanol 55.6
    ethylbenzene 86.58
    MIBK 90.68
    2-propoxyethanol 161.93
    tert-butanol 196.15
    MTBE 119.73
    2-butoxyethanol 91.37
    propionic acid 128.11
    o-xylene 115.33
    formic acid 114.79
    diethyl ether 103.03
    m-xylene 89.36
    p-xylene 126.5
    chlorobenzene 136.21
    dimethyl carbonate 139.7
    n-octane 10.4
    formamide 217.47
    cyclopentanone 318.03
    2-pentanone 129.11
    anisole 179.08
    cyclopentyl methyl ether 146.1
    gamma-butyrolactone 359.16
    1-methoxy-2-propanol 197.03
    pyridine 221.56
    3-pentanone 124.11
    furfural 384.61
    n-dodecane 14.71
    diethylene glycol 183.81
    diisopropyl ether 36.75
    tert-amyl alcohol 155.95
    acetylacetone 194.63
    n-hexadecane 16.42
    acetophenone 167.35
    methyl propionate 165.25
    isopentyl acetate 77.83
    trichloroethylene 384.76
    n-nonanol 75.3
    cyclohexanol 149.43
    benzyl alcohol 144.09
    2-ethylhexanol 68.02
    isooctanol 47.67
    dipropyl ether 65.48
    1,2-dichlorobenzene 150.19
    ethyl lactate 79.4
    propylene carbonate 210.69
    n-methylformamide 301.95
    2-pentanol 72.93
    n-pentane 15.52
    1-propoxy-2-propanol 106.02
    1-methoxy-2-propyl acetate 107.92
    2-(2-methoxypropoxy) propanol 136.98
    mesitylene 61.48
    ε-caprolactone 219.67
    p-cymene 56.32
    epichlorohydrin 336.87
    1,1,1-trichloroethane 190.85
    2-aminoethanol 120.68
    morpholine-4-carbaldehyde 501.28
    sulfolane 439.72
    2,2,4-trimethylpentane 15.04
    2-methyltetrahydrofuran 220.38
    n-hexyl acetate 110.9
    isooctane 9.23
    2-(2-butoxyethoxy)ethanol 146.41
    sec-butyl acetate 57.85
    tert-butyl acetate 96.41
    decalin 24.57
    glycerin 128.3
    diglyme 265.83
    acrylic acid 133.26
    isopropyl myristate 62.07
    n-butyric acid 127.33
    acetyl acetate 113.79
    di(2-ethylhexyl) phthalate 67.1
    ethyl propionate 102.66
    nitromethane 361.48
    1,2-diethoxyethane 104.31
    benzonitrile 173.68
    trioctyl phosphate 51.63
    1-bromopropane 116.84
    gamma-valerolactone 414.36
    n-decanol 62.12
    triethyl phosphate 70.46
    4-methyl-2-pentanol 51.79
    propionitrile 141.57
    vinylene carbonate 232.72
    1,1,2-trichlorotrifluoroethane 221.47
    DMS 129.49
    cumene 65.16
    2-octanol 49.69
    2-hexanone 96.68
    octyl acetate 77.75
    limonene 74.76
    1,2-dimethoxyethane 355.47
    ethyl orthosilicate 62.65
    tributyl phosphate 58.59
    diacetone alcohol 133.8
    N,N-dimethylaniline 157.96
    acrylonitrile 211.55
    aniline 130.11
    1,3-propanediol 150.73
    bromobenzene 137.63
    dibromomethane 247.54
    1,1,2,2-tetrachloroethane 291.31
    2-methyl-cyclohexyl acetate 88.28
    tetrabutyl urea 92.46
    diisobutyl methanol 46.83
    2-phenylethanol 111.44
    styrene 101.64
    dioctyl adipate 90.96
    dimethyl sulfate 234.83
    ethyl butyrate 92.7
    methyl lactate 120.44
    butyl lactate 61.98
    diethyl carbonate 87.85
    propanediol butyl ether 97.5
    triethyl orthoformate 72.56
    p-tert-butyltoluene 53.53
    methyl 4-tert-butylbenzoate 142.68
    morpholine 321.08
    tert-butylamine 119.08
    n-dodecanol 52.7
    dimethoxymethane 320.66
    ethylene carbonate 180.85
    cyrene 165.05
    2-ethoxyethyl acetate 89.73
    2-ethylhexyl acetate 63.51
    1,2,4-trichlorobenzene 166.23
    4-methylpyridine 252.85
    dibutyl ether 72.71
    2,6-dimethyl-4-heptanol 46.83
    DEF 230.76
    dimethyl isosorbide 204.01
    tetrachloroethylene 186.05
    eugenol 131.74
    triacetin 124.34
    span 80 102.08
    1,4-butanediol 84.59
    1,1-dichloroethane 204.01
    2-methyl-1-pentanol 89.52
    methyl formate 328.66
    2-methyl-1-butanol 100.29
    n-decane 18.93
    butyronitrile 134.21
    3,7-dimethyl-1-octanol 79.21
    1-chlorooctane 56.66
    1-chlorotetradecane 33.16
    n-nonane 17.29
    undecane 16.53
    tert-butylcyclohexane 20.7
    cyclooctane 12.96
    cyclopentanol 164.72
    tetrahydropyran 199.29
    tert-amyl methyl ether 106.25
    2,5,8-trioxanonane 230.63
    1-hexene 48.18
    2-isopropoxyethanol 114.58
    2,2,2-trifluoroethanol 103.07
    methyl butyrate 149.42

    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