3,4-Dimethylfuran

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20843-07-6

    Molecular formula
    C6H8O

    SMILES
    CC1=COC=C1C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 57.74%
    Roasted 57.53%
    Nutty 52.51%
    Burnt 49.97%
    Coffee 47.28%
    Ethereal 45.2%
    Musty 44.96%
    Phenolic 41.17%
    Meaty 38.67%
    Smoky 37.64%

     

    Flavor
    Nutty 48.54%
    Earthy 38.01%
    Coffee 34.15%
    Musty 33.91%
    Roasted 32.72%
    Phenolic 30.96%
    Burnt 30.93%
    Smoke 29.89%
    Leather 27.48%
    Smoky 27.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.59 (neutral)

    Molecular weight
    96.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    117°C

    Flash point

    • 7.54 ˚C est.

  • Synonyms

    • 3,4-dimethylfuran
    • Furan, 3,4-dimethyl-
    • DTXSID30174960
    • RefChem:271209
    • DTXCID0097451
    • 958-918-0
    • IVHPMIPYSOTYNM-UHFFFAOYSA-N
    • 20843-07-6
    • MFCD01726019
    • 3,4-Dimethyl-furan
    • SCHEMBL266735
    • SCHEMBL426079
    • SCHEMBL8833394
    • AKOS030239789
    • DB-066343
    • EN300-251360
    • 20843-07-6

  • Applications

    3,4-Dimethylfuran (CAS 20843-07-6) is used as a practical building block in fragrance and flavor chemistry, functioning as a fragrance intermediate or odor-active precursor, and may be employed in cosmetics/personal care formulations for similar roles. In industrial manufacturing, it is explored as a specialty solvent and as a synthetic intermediate for the preparation of diverse organic compounds. In polymer science, it is studied as a potential bio-based monomer or comonomer for polymeric materials via furan chemistry. It also serves as a niche chemical building block in coatings and inks, where it can participate in resin formulations or derivatizations. Overall, applications are largely exploratory and depend on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 776.54
    methanol 800.34
    isopropanol 665.42
    water 42.23
    ethyl acetate 739.87
    n-propanol 664.59
    acetone 626.22
    n-butanol 611.62
    acetonitrile 1049.15
    DMF 641.93
    toluene 327.72
    isobutanol 581.4
    1,4-dioxane 904.42
    methyl acetate 873.67
    THF 730.1
    2-butanone 631.38
    n-pentanol 382.39
    sec-butanol 704.19
    n-hexane 108.65
    ethylene glycol 176.2
    NMP 327.2
    cyclohexane 99.15
    DMSO 371.95
    n-butyl acetate 238.67
    n-octanol 195.59
    chloroform 1969.07
    n-propyl acetate 301.59
    acetic acid 745.45
    dichloromethane 1558.53
    cyclohexanone 407.05
    propylene glycol 235.92
    isopropyl acetate 394.2
    DMAc 668.6
    2-ethoxyethanol 611.14
    isopentanol 565.49
    n-heptane 73.69
    ethyl formate 462.12
    1,2-dichloroethane 709.81
    n-hexanol 282.21
    2-methoxyethanol 810.87
    isobutyl acetate 194.26
    tetrachloromethane 660.75
    n-pentyl acetate 241.36
    transcutol 928.33
    n-heptanol 245.72
    ethylbenzene 215.52
    MIBK 313.28
    2-propoxyethanol 411.19
    tert-butanol 874.76
    MTBE 744.96
    2-butoxyethanol 391.03
    propionic acid 570.58
    o-xylene 269.68
    formic acid 391.82
    diethyl ether 714.14
    m-xylene 230.16
    p-xylene 329.79
    chlorobenzene 394.14
    dimethyl carbonate 239.62
    n-octane 40.65
    formamide 782.58
    cyclopentanone 471.86
    2-pentanone 444.54
    anisole 470.07
    cyclopentyl methyl ether 355.74
    gamma-butyrolactone 552.67
    1-methoxy-2-propanol 572.41
    pyridine 747.02
    3-pentanone 389.17
    furfural 631.18
    n-dodecane 23.88
    diethylene glycol 268.57
    diisopropyl ether 241.12
    tert-amyl alcohol 824.62
    acetylacetone 436.88
    n-hexadecane 26.57
    acetophenone 348.84
    methyl propionate 507.02
    isopentyl acetate 251.08
    trichloroethylene 1415.16
    n-nonanol 181.44
    cyclohexanol 347.58
    benzyl alcohol 338.14
    2-ethylhexanol 198.06
    isooctanol 226.33
    dipropyl ether 253.86
    1,2-dichlorobenzene 377.56
    ethyl lactate 140.36
    propylene carbonate 350.81
    n-methylformamide 571.77
    2-pentanol 484.93
    n-pentane 129.89
    1-propoxy-2-propanol 308.01
    1-methoxy-2-propyl acetate 252.69
    2-(2-methoxypropoxy) propanol 272.34
    mesitylene 160.44
    ε-caprolactone 394.86
    p-cymene 133.32
    epichlorohydrin 824.38
    1,1,1-trichloroethane 1174.8
    2-aminoethanol 418.02
    morpholine-4-carbaldehyde 538.95
    sulfolane 383.04
    2,2,4-trimethylpentane 91.63
    2-methyltetrahydrofuran 624.5
    n-hexyl acetate 295.34
    isooctane 65.14
    2-(2-butoxyethoxy)ethanol 376.67
    sec-butyl acetate 231.43
    tert-butyl acetate 416.54
    decalin 66.66
    glycerin 257.78
    diglyme 758.7
    acrylic acid 461.7
    isopropyl myristate 120.29
    n-butyric acid 626.6
    acetyl acetate 408.81
    di(2-ethylhexyl) phthalate 113.54
    ethyl propionate 301.32
    nitromethane 1092.23
    1,2-diethoxyethane 452.53
    benzonitrile 367.05
    trioctyl phosphate 73.35
    1-bromopropane 524.07
    gamma-valerolactone 671.73
    n-decanol 123.77
    triethyl phosphate 128.29
    4-methyl-2-pentanol 290.33
    propionitrile 731.51
    vinylene carbonate 380.48
    1,1,2-trichlorotrifluoroethane 672.31
    DMS 226.64
    cumene 174.9
    2-octanol 171.89
    2-hexanone 288.93
    octyl acetate 148.35
    limonene 156.76
    1,2-dimethoxyethane 760.38
    ethyl orthosilicate 145.76
    tributyl phosphate 86.27
    diacetone alcohol 398.47
    N,N-dimethylaniline 327.3
    acrylonitrile 813.0
    aniline 452.25
    1,3-propanediol 511.27
    bromobenzene 392.37
    dibromomethane 1015.93
    1,1,2,2-tetrachloroethane 1019.84
    2-methyl-cyclohexyl acetate 182.67
    tetrabutyl urea 96.22
    diisobutyl methanol 146.05
    2-phenylethanol 270.59
    styrene 262.61
    dioctyl adipate 149.36
    dimethyl sulfate 278.17
    ethyl butyrate 247.32
    methyl lactate 201.16
    butyl lactate 160.65
    diethyl carbonate 189.24
    propanediol butyl ether 247.55
    triethyl orthoformate 188.68
    p-tert-butyltoluene 137.05
    methyl 4-tert-butylbenzoate 289.29
    morpholine 884.57
    tert-butylamine 700.45
    n-dodecanol 86.83
    dimethoxymethane 494.63
    ethylene carbonate 303.94
    cyrene 211.8
    2-ethoxyethyl acetate 340.04
    2-ethylhexyl acetate 184.09
    1,2,4-trichlorobenzene 448.96
    4-methylpyridine 630.92
    dibutyl ether 222.88
    2,6-dimethyl-4-heptanol 146.05
    DEF 436.53
    dimethyl isosorbide 380.26
    tetrachloroethylene 858.06
    eugenol 288.5
    triacetin 257.68
    span 80 226.01
    1,4-butanediol 203.72
    1,1-dichloroethane 1028.24
    2-methyl-1-pentanol 396.79
    methyl formate 413.54
    2-methyl-1-butanol 558.92
    n-decane 46.11
    butyronitrile 583.78
    3,7-dimethyl-1-octanol 198.24
    1-chlorooctane 145.58
    1-chlorotetradecane 53.63
    n-nonane 46.62
    undecane 30.99
    tert-butylcyclohexane 85.54
    cyclooctane 44.89
    cyclopentanol 367.75
    tetrahydropyran 569.73
    tert-amyl methyl ether 545.09
    2,5,8-trioxanonane 475.96
    1-hexene 264.59
    2-isopropoxyethanol 439.9
    2,2,2-trifluoroethanol 406.12
    methyl butyrate 368.31

    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