3,5-Dimethylfuran-2(5H)-one

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  • Identifiers

    CAS number
    5584-69-0

    Molecular formula
    C6H8O2

    SMILES
    CC1C=C(C(=O)O1)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 83.39%
    Coumarinic 66.32%
    Caramellic 58.44%
    Nutty 54.91%
    Coconut 51.23%
    Tobacco 50.95%
    Hay 50.43%
    Burnt 43.71%
    Herbal 42.03%
    Mint 41.63%

     

    Flavor
    Caramel 50.53%
    Fruity 42.65%
    Maple 37.8%
    Spice 35.35%
    Tobacco 34.2%
    Minty 33.66%
    Sugar 31.24%
    Sweet 30.54%
    Coumarin 24.51%
    Celery 23.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.18 (neutral)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 62.24 ˚C est.

  • Synonyms

    • 5584-69-0
    • 3,5-dimethylfuran-2(5H)-one
    • DTXSID10312348
    • RefChem:1065941
    • DTXCID90957736
    • xi-3,5-Dimethyl-2(5H)-furanone
    • 2,4-dimethyl-2H-furan-5-one
    • 3,5-dimethyl-5H-furan-2-one
    • 2-Furanone, 2,5-dihydro-3,5-dimethyl
    • 3,5-Dimethyl-2(5H)-furanone
    • NSC252859
    • 3,5-dimethyl-2,5-dihydrofuran-2-one
    • SCHEMBL691387
    • 3,5-dimethyl-3-oxol-2-one
    • CHEMBL253848
    • 2,4-dimethyl-2H-uran-5-one
    • SCHEMBL15553046
    • CHEBI:173378
    • SAXRUMLUKZBSTO-UHFFFAOYSA-N
    • 3,5-Dimethyl-2(5H)-furanone #
    • NSC-252859
    • 5584-69-0

  • Applications

    3,5-Dimethylfuran-2(5H)-one (CAS 5584-69-0) is primarily used as a fragrance ingredient, contributing fruity lactone notes in perfumery and personal care products. It is also evaluated for flavor/aroma applications as an aroma compound in food formulations. In addition, the compound is commonly used as an intermediate in industrial manufacturing, for synthesizing fragrance chemicals and other specialty intermediates. In the materials sector, it can serve as a building block for lactone-containing polymers or as an aroma additive in consumer products. In household products such as cleaners, air fresheners and detergents, it may function as a scent additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1217.25
    methanol 1733.94
    isopropanol 871.3
    water 79.75
    ethyl acetate 506.3
    n-propanol 868.75
    acetone 714.38
    n-butanol 803.03
    acetonitrile 904.47
    DMF 894.31
    toluene 247.93
    isobutanol 659.1
    1,4-dioxane 894.83
    methyl acetate 495.59
    THF 996.62
    2-butanone 510.19
    n-pentanol 631.24
    sec-butanol 725.73
    n-hexane 90.8
    ethylene glycol 387.21
    NMP 791.19
    cyclohexane 62.69
    DMSO 794.29
    n-butyl acetate 239.54
    n-octanol 242.57
    chloroform 1545.09
    n-propyl acetate 290.63
    acetic acid 1329.64
    dichloromethane 1572.99
    cyclohexanone 543.23
    propylene glycol 322.16
    isopropyl acetate 298.7
    DMAc 571.17
    2-ethoxyethanol 931.11
    isopentanol 662.67
    n-heptane 36.67
    ethyl formate 418.13
    1,2-dichloroethane 727.97
    n-hexanol 385.55
    2-methoxyethanol 1365.87
    isobutyl acetate 168.1
    tetrachloromethane 255.82
    n-pentyl acetate 220.23
    transcutol 1439.75
    n-heptanol 197.94
    ethylbenzene 151.72
    MIBK 322.03
    2-propoxyethanol 636.06
    tert-butanol 849.54
    MTBE 538.81
    2-butoxyethanol 376.18
    propionic acid 595.15
    o-xylene 169.08
    formic acid 936.41
    diethyl ether 643.69
    m-xylene 204.55
    p-xylene 201.48
    chlorobenzene 374.45
    dimethyl carbonate 206.19
    n-octane 19.09
    formamide 999.93
    cyclopentanone 661.74
    2-pentanone 477.87
    anisole 360.53
    cyclopentyl methyl ether 479.01
    gamma-butyrolactone 846.58
    1-methoxy-2-propanol 820.54
    pyridine 547.6
    3-pentanone 318.08
    furfural 798.89
    n-dodecane 18.09
    diethylene glycol 601.57
    diisopropyl ether 180.34
    tert-amyl alcohol 711.91
    acetylacetone 470.16
    n-hexadecane 19.86
    acetophenone 299.71
    methyl propionate 380.95
    isopentyl acetate 223.27
    trichloroethylene 1304.72
    n-nonanol 197.86
    cyclohexanol 470.25
    benzyl alcohol 349.84
    2-ethylhexanol 186.25
    isooctanol 163.45
    dipropyl ether 181.62
    1,2-dichlorobenzene 347.4
    ethyl lactate 155.63
    propylene carbonate 432.21
    n-methylformamide 737.04
    2-pentanol 540.34
    n-pentane 91.06
    1-propoxy-2-propanol 339.46
    1-methoxy-2-propyl acetate 250.97
    2-(2-methoxypropoxy) propanol 309.73
    mesitylene 124.45
    ε-caprolactone 509.4
    p-cymene 78.89
    epichlorohydrin 1006.1
    1,1,1-trichloroethane 633.8
    2-aminoethanol 662.49
    morpholine-4-carbaldehyde 817.69
    sulfolane 792.07
    2,2,4-trimethylpentane 53.31
    2-methyltetrahydrofuran 800.4
    n-hexyl acetate 349.7
    isooctane 40.59
    2-(2-butoxyethoxy)ethanol 481.76
    sec-butyl acetate 200.73
    tert-butyl acetate 335.43
    decalin 49.23
    glycerin 436.41
    diglyme 721.55
    acrylic acid 570.62
    isopropyl myristate 120.65
    n-butyric acid 662.58
    acetyl acetate 327.71
    di(2-ethylhexyl) phthalate 122.37
    ethyl propionate 247.97
    nitromethane 1320.75
    1,2-diethoxyethane 392.81
    benzonitrile 419.02
    trioctyl phosphate 87.47
    1-bromopropane 484.27
    gamma-valerolactone 852.13
    n-decanol 135.41
    triethyl phosphate 102.8
    4-methyl-2-pentanol 292.45
    propionitrile 521.73
    vinylene carbonate 442.8
    1,1,2-trichlorotrifluoroethane 584.26
    DMS 254.65
    cumene 117.28
    2-octanol 159.13
    2-hexanone 327.93
    octyl acetate 157.21
    limonene 107.22
    1,2-dimethoxyethane 845.59
    ethyl orthosilicate 104.09
    tributyl phosphate 115.95
    diacetone alcohol 400.51
    N,N-dimethylaniline 240.87
    acrylonitrile 610.14
    aniline 368.27
    1,3-propanediol 856.2
    bromobenzene 361.88
    dibromomethane 978.68
    1,1,2,2-tetrachloroethane 850.5
    2-methyl-cyclohexyl acetate 164.6
    tetrabutyl urea 136.08
    diisobutyl methanol 112.68
    2-phenylethanol 267.78
    styrene 191.13
    dioctyl adipate 157.63
    dimethyl sulfate 301.5
    ethyl butyrate 181.78
    methyl lactate 221.65
    butyl lactate 165.66
    diethyl carbonate 135.84
    propanediol butyl ether 342.77
    triethyl orthoformate 130.85
    p-tert-butyltoluene 78.65
    methyl 4-tert-butylbenzoate 242.12
    morpholine 975.21
    tert-butylamine 539.31
    n-dodecanol 99.71
    dimethoxymethane 702.42
    ethylene carbonate 350.41
    cyrene 298.03
    2-ethoxyethyl acetate 325.61
    2-ethylhexyl acetate 166.05
    1,2,4-trichlorobenzene 389.44
    4-methylpyridine 628.6
    dibutyl ether 201.96
    2,6-dimethyl-4-heptanol 112.68
    DEF 473.63
    dimethyl isosorbide 411.69
    tetrachloroethylene 586.49
    eugenol 270.35
    triacetin 265.51
    span 80 240.81
    1,4-butanediol 426.95
    1,1-dichloroethane 804.86
    2-methyl-1-pentanol 524.0
    methyl formate 571.81
    2-methyl-1-butanol 644.62
    n-decane 28.81
    butyronitrile 574.02
    3,7-dimethyl-1-octanol 206.37
    1-chlorooctane 120.88
    1-chlorotetradecane 49.01
    n-nonane 27.47
    undecane 22.12
    tert-butylcyclohexane 52.2
    cyclooctane 26.18
    cyclopentanol 543.31
    tetrahydropyran 650.7
    tert-amyl methyl ether 408.19
    2,5,8-trioxanonane 476.77
    1-hexene 259.67
    2-isopropoxyethanol 552.12
    2,2,2-trifluoroethanol 451.58
    methyl butyrate 320.74

    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