2,5-Dimethylfuran

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  • Identifiers

    CAS number
    625-86-5

    Molecular formula
    C6H8O

    SMILES
    CC1=CC=C(O1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 951.0

  • Odor profile

    Ethereal 72.31%
    Roasted 59.22%
    Burnt 56.98%
    Nutty 53.81%
    Solvent 51.76%
    Meaty 49.79%
    Coffee 46.97%
    Gassy 45.41%
    Musty 43.76%
    Sweet 43.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.71 (neutral)

    Molecular weight
    96.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -81 °F (NTP, 1992)
    • -63 °C

    Boiling point

    • 198 to 201 °F at 760 mmHg (NTP, 1992)
    • 92.00 to 94.00 °C. @ 760.00 mm Hg

    Flash point est.
    -7.06 ˚C

    Flash point expt.

    • 30.2 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 72.5 °F (NTP, 1992)
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2,5-DIMETHYLFURAN
    • 625-86-5
    • Furan, 2,5-dimethyl-
    • 2,5-Dimethylfurane
    • 2,5-dimethyl-furan
    • 2,5-Dimethyl furan
    • NSC 6220
    • CCRIS 3158
    • DR5HL9OJ7Y
    • EINECS 210-914-3
    • MFCD00003250
    • DTXSID7022093
    • CHEBI:89052
    • AI3-21212
    • NSC-6220
    • 2,5-Dimethylfuran-d6
    • DIMETHYLFURAN, 2,5-
    • DTXCID102093
    • FEMA NO. 4106
    • 2,5-DIMETHYLFURAN [MI]
    • 2,5-DIMETHYLFURAN [FHFI]
    • 121571-93-5
    • UNII-DR5HL9OJ7Y
    • 2,5-Dimethylfuran; 2-Methyl-5-methylfuran; NSC 6220
    • NSC6220
    • Furan, 2,5dimethyl
    • 2,5-DIMETYLFURAN
    • 2,5-Dimethylfuran, 99%
    • WLN: T5OJ B1 E1
    • 2,5-Dimethylfuran, >=99%
    • CHEMBL1416448
    • STR09233
    • Tox21_202472
    • AKOS000120051
    • FD22378
    • PS-9347
    • NCGC00091694-01
    • NCGC00260021-01
    • CAS-625-86-5
    • DB-015920
    • DB-302475
    • D0725
    • NS00022555
    • EN300-19818
    • F16580
    • 2,5-Dimethylfuran 100 microg/mL in Acetonitrile
    • Q209267
    • 2,5-Dimethylfuran 1000 microg/mL in Acetonitrile
    • F0001-1679
    • InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H
    • 210-914-3

  • Applications

    2,5‑Dimethylfuran (DMF, CAS 625‑86‑5) is applied as a renewable fuel component and gasoline additive due to its high energy density and octane, hydrophobicity, and good miscibility with hydrocarbons; it is studied in spark‑ignition engine blends for performance and drop‑in use. In organic synthesis, DMF serves as a versatile solvent/reagent, acting as a diene in Diels–Alder reactions and as an intermediate for pharmaceuticals, agrochemicals, and functional materials; catalytic hydrogenation yields 2,5‑dimethyltetrahydrofuran for solvent/fuel‑additive use. DMF is also employed as an analytical standard and model furanic substrate in biomass‑to‑chemicals catalysis, and as a marker/reference compound in food aroma research (e.g., coffee flavor studies).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 745.89
    methanol 896.19
    isopropanol 586.13
    water 43.46
    ethyl acetate 516.81
    n-propanol 613.79
    acetone 577.15
    n-butanol 538.59
    acetonitrile 531.55
    DMF 706.2
    toluene 364.81
    isobutanol 472.03
    1,4-dioxane 1009.47
    methyl acetate 551.06
    THF 1081.31
    2-butanone 522.35
    n-pentanol 345.52
    sec-butanol 546.69
    n-hexane 200.2
    ethylene glycol 316.76
    NMP 808.54
    cyclohexane 204.65
    DMSO 541.87
    n-butyl acetate 192.48
    n-octanol 197.66
    chloroform 1389.39
    n-propyl acetate 200.58
    acetic acid 486.75
    dichloromethane 1118.68
    cyclohexanone 514.3
    propylene glycol 350.4
    isopropyl acetate 271.24
    DMAc 779.47
    2-ethoxyethanol 501.61
    isopentanol 377.51
    n-heptane 102.72
    ethyl formate 265.53
    1,2-dichloroethane 561.51
    n-hexanol 355.08
    2-methoxyethanol 892.65
    isobutyl acetate 135.96
    tetrachloromethane 371.65
    n-pentyl acetate 176.44
    transcutol 868.44
    n-heptanol 161.09
    ethylbenzene 146.26
    MIBK 213.35
    2-propoxyethanol 590.1
    tert-butanol 639.36
    MTBE 549.08
    2-butoxyethanol 274.96
    propionic acid 450.55
    o-xylene 219.42
    formic acid 317.91
    diethyl ether 756.35
    m-xylene 210.64
    p-xylene 176.11
    chlorobenzene 319.93
    dimethyl carbonate 219.84
    n-octane 44.89
    formamide 441.45
    cyclopentanone 593.43
    2-pentanone 382.36
    anisole 310.42
    cyclopentyl methyl ether 564.94
    gamma-butyrolactone 657.49
    1-methoxy-2-propanol 628.74
    pyridine 538.95
    3-pentanone 384.46
    furfural 508.12
    n-dodecane 38.6
    diethylene glycol 452.57
    diisopropyl ether 208.82
    tert-amyl alcohol 570.99
    acetylacetone 381.34
    n-hexadecane 41.68
    acetophenone 205.55
    methyl propionate 462.65
    isopentyl acetate 168.29
    trichloroethylene 821.29
    n-nonanol 182.62
    cyclohexanol 455.82
    benzyl alcohol 221.5
    2-ethylhexanol 186.46
    isooctanol 124.2
    dipropyl ether 285.31
    1,2-dichlorobenzene 266.99
    ethyl lactate 129.56
    propylene carbonate 305.29
    n-methylformamide 466.96
    2-pentanol 387.9
    n-pentane 199.66
    1-propoxy-2-propanol 351.68
    1-methoxy-2-propyl acetate 269.22
    2-(2-methoxypropoxy) propanol 250.04
    mesitylene 124.85
    ε-caprolactone 459.12
    p-cymene 96.19
    epichlorohydrin 758.96
    1,1,1-trichloroethane 688.89
    2-aminoethanol 504.65
    morpholine-4-carbaldehyde 761.99
    sulfolane 598.46
    2,2,4-trimethylpentane 83.01
    2-methyltetrahydrofuran 918.63
    n-hexyl acetate 278.37
    isooctane 52.03
    2-(2-butoxyethoxy)ethanol 318.26
    sec-butyl acetate 160.26
    tert-butyl acetate 272.93
    decalin 89.86
    glycerin 429.87
    diglyme 561.08
    acrylic acid 375.85
    isopropyl myristate 128.23
    n-butyric acid 415.33
    acetyl acetate 290.34
    di(2-ethylhexyl) phthalate 109.2
    ethyl propionate 236.79
    nitromethane 670.56
    1,2-diethoxyethane 329.26
    benzonitrile 212.77
    trioctyl phosphate 78.15
    1-bromopropane 512.62
    gamma-valerolactone 704.1
    n-decanol 135.79
    triethyl phosphate 104.44
    4-methyl-2-pentanol 189.41
    propionitrile 413.45
    vinylene carbonate 279.01
    1,1,2-trichlorotrifluoroethane 511.5
    DMS 232.44
    cumene 110.13
    2-octanol 130.33
    2-hexanone 236.53
    octyl acetate 162.09
    limonene 151.53
    1,2-dimethoxyethane 617.0
    ethyl orthosilicate 107.82
    tributyl phosphate 97.21
    diacetone alcohol 291.78
    N,N-dimethylaniline 219.74
    acrylonitrile 418.62
    aniline 392.11
    1,3-propanediol 503.34
    bromobenzene 328.84
    dibromomethane 816.77
    1,1,2,2-tetrachloroethane 717.13
    2-methyl-cyclohexyl acetate 153.61
    tetrabutyl urea 127.81
    diisobutyl methanol 107.45
    2-phenylethanol 212.03
    styrene 187.12
    dioctyl adipate 158.35
    dimethyl sulfate 309.99
    ethyl butyrate 178.25
    methyl lactate 235.26
    butyl lactate 126.89
    diethyl carbonate 126.3
    propanediol butyl ether 228.41
    triethyl orthoformate 138.77
    p-tert-butyltoluene 103.07
    methyl 4-tert-butylbenzoate 224.51
    morpholine 977.03
    tert-butylamine 475.74
    n-dodecanol 108.4
    dimethoxymethane 584.34
    ethylene carbonate 261.04
    cyrene 212.04
    2-ethoxyethyl acetate 260.58
    2-ethylhexyl acetate 142.53
    1,2,4-trichlorobenzene 314.86
    4-methylpyridine 517.41
    dibutyl ether 224.82
    2,6-dimethyl-4-heptanol 107.45
    DEF 457.43
    dimethyl isosorbide 352.03
    tetrachloroethylene 511.28
    eugenol 192.67
    triacetin 236.79
    span 80 216.15
    1,4-butanediol 224.52
    1,1-dichloroethane 735.78
    2-methyl-1-pentanol 273.88
    methyl formate 331.18
    2-methyl-1-butanol 433.02
    n-decane 60.28
    butyronitrile 365.97
    3,7-dimethyl-1-octanol 185.22
    1-chlorooctane 161.2
    1-chlorotetradecane 76.57
    n-nonane 61.47
    undecane 46.59
    tert-butylcyclohexane 96.74
    cyclooctane 81.79
    cyclopentanol 523.37
    tetrahydropyran 793.46
    tert-amyl methyl ether 463.36
    2,5,8-trioxanonane 393.48
    1-hexene 316.73
    2-isopropoxyethanol 340.77
    2,2,2-trifluoroethanol 259.42
    methyl butyrate 244.96

    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

Botanical

Name CAS Botanical Proportion
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 0.35%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%