2,3,4-Trimethylfuran

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  • Identifiers

    CAS number
    10599-57-2

    Molecular formula
    C7H10O

    SMILES
    CC1=COC(=C1C)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 62.21%
    Nutty 53.18%
    Burnt 51.33%
    Musty 50.72%
    Meaty 47.77%
    Coffee 47.39%
    Sweet 46.63%
    Phenolic 44.17%
    Smoky 40.39%
    Earthy 39.89%

     

    Flavor
    Nutty 59.08%
    Earthy 45.44%
    Roasted 44.77%
    Musty 43.94%
    Burnt 42.19%
    Coffee 40.18%
    Cocoa 35.43%
    Smoke 33.72%
    Phenolic 33.34%
    Meaty 32.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.13 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point

    • 19.22 ˚C est.

  • Synonyms

    • 2,3,4-TRIMETHYLFURAN
    • 10599-57-2
    • DTXSID70147456
    • RefChem:81337
    • DTXCID2069947
    • MNBYRCAFWIZFJM-UHFFFAOYSA-N
    • 2,3,4-Trimethyl-furan
    • SCHEMBL862533
    • SCHEMBL2960318
    • SCHEMBL11092331
    • 10599-57-2

  • Applications

    2,3,4-Trimethylfuran (CAS 10599-57-2) is studied as a biomass-derived chemical with potential in several industrial applications: as a biofuel component and fuel additive due to its energy density and clean combustion; as an organic solvent for chemical synthesis and processing; as a building block or monomer precursor for furan-based polymers and resins in biobased materials; as a solvent or processing component in coatings and inks formulations; and as an intermediate for specialty chemicals and functional materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1388.79
    methanol 1888.67
    isopropanol 1141.82
    water 60.6
    ethyl acetate 811.14
    n-propanol 1244.7
    acetone 677.1
    n-butanol 1184.92
    acetonitrile 942.44
    DMF 844.61
    toluene 601.79
    isobutanol 1080.95
    1,4-dioxane 1689.47
    methyl acetate 787.23
    THF 1422.2
    2-butanone 787.64
    n-pentanol 828.34
    sec-butanol 1212.74
    n-hexane 379.84
    ethylene glycol 282.96
    NMP 602.18
    cyclohexane 329.31
    DMSO 521.99
    n-butyl acetate 361.69
    n-octanol 327.46
    chloroform 2859.51
    n-propyl acetate 367.94
    acetic acid 733.95
    dichloromethane 2471.94
    cyclohexanone 774.87
    propylene glycol 331.75
    isopropyl acetate 511.54
    DMAc 792.55
    2-ethoxyethanol 1017.02
    isopentanol 1036.6
    n-heptane 191.87
    ethyl formate 532.11
    1,2-dichloroethane 1217.11
    n-hexanol 646.09
    2-methoxyethanol 1346.11
    isobutyl acetate 264.19
    tetrachloromethane 978.4
    n-pentyl acetate 337.96
    transcutol 1490.37
    n-heptanol 407.1
    ethylbenzene 400.34
    MIBK 473.06
    2-propoxyethanol 839.17
    tert-butanol 1370.45
    MTBE 1287.42
    2-butoxyethanol 597.41
    propionic acid 677.09
    o-xylene 462.43
    formic acid 514.3
    diethyl ether 1424.53
    m-xylene 413.18
    p-xylene 513.14
    chlorobenzene 644.22
    dimethyl carbonate 250.7
    n-octane 91.66
    formamide 821.9
    cyclopentanone 722.15
    2-pentanone 628.31
    anisole 772.33
    cyclopentyl methyl ether 830.24
    gamma-butyrolactone 740.45
    1-methoxy-2-propanol 921.09
    pyridine 1011.14
    3-pentanone 545.83
    furfural 781.25
    n-dodecane 54.0
    diethylene glycol 547.97
    diisopropyl ether 482.33
    tert-amyl alcohol 1311.4
    acetylacetone 503.79
    n-hexadecane 58.82
    acetophenone 473.32
    methyl propionate 573.17
    isopentyl acetate 369.78
    trichloroethylene 1714.65
    n-nonanol 315.01
    cyclohexanol 797.41
    benzyl alcohol 538.16
    2-ethylhexanol 388.12
    isooctanol 351.03
    dipropyl ether 538.29
    1,2-dichlorobenzene 593.58
    ethyl lactate 183.75
    propylene carbonate 404.61
    n-methylformamide 702.78
    2-pentanol 871.19
    n-pentane 373.04
    1-propoxy-2-propanol 508.3
    1-methoxy-2-propyl acetate 381.65
    2-(2-methoxypropoxy) propanol 402.82
    mesitylene 283.33
    ε-caprolactone 660.94
    p-cymene 212.9
    epichlorohydrin 1208.99
    1,1,1-trichloroethane 1480.37
    2-aminoethanol 670.46
    morpholine-4-carbaldehyde 891.55
    sulfolane 606.57
    2,2,4-trimethylpentane 206.28
    2-methyltetrahydrofuran 1357.8
    n-hexyl acetate 453.45
    isooctane 135.63
    2-(2-butoxyethoxy)ethanol 582.19
    sec-butyl acetate 319.58
    tert-butyl acetate 564.97
    decalin 180.77
    glycerin 398.73
    diglyme 1095.08
    acrylic acid 509.35
    isopropyl myristate 202.75
    n-butyric acid 816.05
    acetyl acetate 435.18
    di(2-ethylhexyl) phthalate 174.51
    ethyl propionate 392.9
    nitromethane 980.18
    1,2-diethoxyethane 783.9
    benzonitrile 499.03
    trioctyl phosphate 117.02
    1-bromopropane 1061.42
    gamma-valerolactone 990.61
    n-decanol 219.29
    triethyl phosphate 199.08
    4-methyl-2-pentanol 503.11
    propionitrile 841.87
    vinylene carbonate 440.06
    1,1,2-trichlorotrifluoroethane 748.67
    DMS 309.37
    cumene 314.96
    2-octanol 286.22
    2-hexanone 441.45
    octyl acetate 240.93
    limonene 268.81
    1,2-dimethoxyethane 1307.55
    ethyl orthosilicate 233.25
    tributyl phosphate 143.0
    diacetone alcohol 523.52
    N,N-dimethylaniline 546.46
    acrylonitrile 790.33
    aniline 759.92
    1,3-propanediol 868.18
    bromobenzene 648.92
    dibromomethane 1710.27
    1,1,2,2-tetrachloroethane 1413.35
    2-methyl-cyclohexyl acetate 300.76
    tetrabutyl urea 171.3
    diisobutyl methanol 237.22
    2-phenylethanol 481.21
    styrene 461.5
    dioctyl adipate 226.05
    dimethyl sulfate 294.72
    ethyl butyrate 352.06
    methyl lactate 253.29
    butyl lactate 214.09
    diethyl carbonate 243.94
    propanediol butyl ether 347.68
    triethyl orthoformate 285.57
    p-tert-butyltoluene 213.57
    methyl 4-tert-butylbenzoate 406.7
    morpholine 1595.3
    tert-butylamine 1180.72
    n-dodecanol 162.55
    dimethoxymethane 807.34
    ethylene carbonate 382.31
    cyrene 342.51
    2-ethoxyethyl acetate 460.03
    2-ethylhexyl acetate 302.15
    1,2,4-trichlorobenzene 674.32
    4-methylpyridine 973.96
    dibutyl ether 418.25
    2,6-dimethyl-4-heptanol 237.22
    DEF 659.26
    dimethyl isosorbide 588.96
    tetrachloroethylene 1180.65
    eugenol 412.69
    triacetin 324.53
    span 80 329.88
    1,4-butanediol 367.76
    1,1-dichloroethane 1429.57
    2-methyl-1-pentanol 802.5
    methyl formate 447.52
    2-methyl-1-butanol 1059.76
    n-decane 96.29
    butyronitrile 847.48
    3,7-dimethyl-1-octanol 344.91
    1-chlorooctane 255.49
    1-chlorotetradecane 110.7
    n-nonane 97.28
    undecane 67.94
    tert-butylcyclohexane 209.01
    cyclooctane 140.62
    cyclopentanol 768.41
    tetrahydropyran 1359.14
    tert-amyl methyl ether 993.74
    2,5,8-trioxanonane 696.2
    1-hexene 688.46
    2-isopropoxyethanol 714.52
    2,2,2-trifluoroethanol 392.75
    methyl butyrate 448.58

    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