2-Methyl-3-(methylthio)furan

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  • Identifiers

    CAS number
    63012-97-5

    Molecular formula
    C6H8OS

    SMILES
    CC1=C(C=CO1)SC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 79.16%
    Meaty 74.77%
    Roasted 71.01%
    Coffee 61.96%
    Onion 58.58%
    Garlic 49.35%
    Savory 48.99%
    Burnt 48.26%
    Beefy 47.74%
    Alliaceous 47.7%

     

    Flavor
    Sulfury 66.76%
    Onion 63.45%
    Roasted 61.27%
    Meaty 57.73%
    Coffee 56.31%
    Sulfurous 53.83%
    Garlic 52.37%
    Burnt 42.75%
    Vegetable 42.08%
    Sulfur 38.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.63 (weak acid)

    Molecular weight
    128.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    181°C

    Flash point

    • 52.37 ˚C est.

    Solubility expt.

    • Insoluble in water,soluble in organic solvents,oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-methyl-3-(methylthio)furan
    • 63012-97-5
    • 2-Methyl-3-methylthiofuran
    • furan, 2-methyl-3-(methylthio)-
    • 2-methyl-3-methylsulfanylfuran
    • 2-Methyl-3-thiomethylfuran
    • FEMA no. 3949
    • 2-methyl-3-(methylthio)-furan
    • 2-Methyl-3-(methylthio)furan [FHFI]
    • M46N02LDL4
    • 2-methyl-3-(methylsulfanyl)furan
    • DTXSID50212237
    • UNII-M46N02LDL4
    • Dimethylthiofuran
    • 1-Ethylundecyl 2-fluorobenzoate
    • MFCD03701635
    • SCHEMBL757595
    • 2-Methyl-3-(methylthio) furan
    • FEMA 3949
    • DTXCID50134728
    • Furan, 2-methyl-3-(methylthio)
    • BCP11303
    • AKOS015897445
    • CS-W013462
    • DS-11400
    • 2-Methyl-3-methylthiofuran, >=98%, FG
    • M1838
    • NS00022586
    • H11351
    • EN300-1703881
    • Q27283471

  • Applications

    2-Methyl-3-(methylthio)furan (CAS 63012-97-5) is primarily used as an odorant/fragrance ingredient and as a synthetic building block in sulfur-containing heterocycles for industrial applications. In perfumery, it serves as a fragrance component or as an intermediate for designing distinctive notes. In flavor/aroma chemistry, it may be evaluated for its aroma contribution and used as a precursor for aroma compounds. In cosmetics/personal care, it can function as a fragrance ingredient in formulations. In household products, it is used as a scent additive in cleaners and room-freshening products. In industrial manufacturing, it serves as an intermediate for the synthesis of sulfur-containing heterocycles used in agrochemical and pharmaceutical applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 980.59
    methanol 1082.62
    isopropanol 696.77
    water 20.44
    ethyl acetate 1012.51
    n-propanol 821.3
    acetone 1346.15
    n-butanol 672.6
    acetonitrile 1158.35
    DMF 1574.84
    toluene 896.65
    isobutanol 582.29
    1,4-dioxane 3361.5
    methyl acetate 1052.27
    THF 2494.21
    2-butanone 977.38
    n-pentanol 481.58
    sec-butanol 653.7
    n-hexane 161.93
    ethylene glycol 363.63
    NMP 1604.44
    cyclohexane 496.34
    DMSO 1604.59
    n-butyl acetate 464.12
    n-octanol 263.66
    chloroform 3126.46
    n-propyl acetate 437.21
    acetic acid 990.32
    dichloromethane 2956.88
    cyclohexanone 1552.18
    propylene glycol 317.64
    isopropyl acetate 518.84
    DMAc 1192.18
    2-ethoxyethanol 948.83
    isopentanol 506.07
    n-heptane 142.19
    ethyl formate 615.25
    1,2-dichloroethane 1676.52
    n-hexanol 481.55
    2-methoxyethanol 1517.72
    isobutyl acetate 276.79
    tetrachloromethane 722.69
    n-pentyl acetate 342.12
    transcutol 2079.19
    n-heptanol 237.13
    ethylbenzene 272.85
    MIBK 433.52
    2-propoxyethanol 852.54
    tert-butanol 814.86
    MTBE 766.33
    2-butoxyethanol 429.58
    propionic acid 714.65
    o-xylene 423.88
    formic acid 523.0
    diethyl ether 1240.72
    m-xylene 455.29
    p-xylene 326.61
    chlorobenzene 1052.82
    dimethyl carbonate 431.52
    n-octane 54.87
    formamide 834.46
    cyclopentanone 1521.76
    2-pentanone 777.65
    anisole 735.61
    cyclopentyl methyl ether 1256.78
    gamma-butyrolactone 1644.09
    1-methoxy-2-propanol 994.19
    pyridine 1868.19
    3-pentanone 709.76
    furfural 1554.3
    n-dodecane 43.3
    diethylene glycol 763.66
    diisopropyl ether 330.83
    tert-amyl alcohol 668.07
    acetylacetone 994.05
    n-hexadecane 49.25
    acetophenone 506.34
    methyl propionate 803.37
    isopentyl acetate 383.64
    trichloroethylene 2555.04
    n-nonanol 234.87
    cyclohexanol 903.87
    benzyl alcohol 488.91
    2-ethylhexanol 276.41
    isooctanol 197.27
    dipropyl ether 454.47
    1,2-dichlorobenzene 787.75
    ethyl lactate 222.53
    propylene carbonate 717.68
    n-methylformamide 964.17
    2-pentanol 475.71
    n-pentane 194.5
    1-propoxy-2-propanol 545.47
    1-methoxy-2-propyl acetate 559.16
    2-(2-methoxypropoxy) propanol 464.97
    mesitylene 273.94
    ε-caprolactone 1104.36
    p-cymene 173.63
    epichlorohydrin 2005.87
    1,1,1-trichloroethane 1633.61
    2-aminoethanol 584.04
    morpholine-4-carbaldehyde 1968.1
    sulfolane 1651.28
    2,2,4-trimethylpentane 79.49
    2-methyltetrahydrofuran 1929.18
    n-hexyl acetate 460.57
    isooctane 64.36
    2-(2-butoxyethoxy)ethanol 655.4
    sec-butyl acetate 289.03
    tert-butyl acetate 563.81
    decalin 133.63
    glycerin 522.13
    diglyme 1237.31
    acrylic acid 685.31
    isopropyl myristate 220.12
    n-butyric acid 732.53
    acetyl acetate 626.94
    di(2-ethylhexyl) phthalate 190.28
    ethyl propionate 434.01
    nitromethane 1878.81
    1,2-diethoxyethane 821.66
    benzonitrile 701.76
    trioctyl phosphate 140.13
    1-bromopropane 947.39
    gamma-valerolactone 2035.18
    n-decanol 177.17
    triethyl phosphate 217.16
    4-methyl-2-pentanol 251.97
    propionitrile 778.16
    vinylene carbonate 803.7
    1,1,2-trichlorotrifluoroethane 1059.96
    DMS 447.39
    cumene 179.28
    2-octanol 179.56
    2-hexanone 464.09
    octyl acetate 269.9
    limonene 289.45
    1,2-dimethoxyethane 1383.26
    ethyl orthosilicate 213.96
    tributyl phosphate 178.74
    diacetone alcohol 571.49
    N,N-dimethylaniline 436.92
    acrylonitrile 897.19
    aniline 894.84
    1,3-propanediol 682.11
    bromobenzene 1125.07
    dibromomethane 1872.58
    1,1,2,2-tetrachloroethane 1903.54
    2-methyl-cyclohexyl acetate 325.53
    tetrabutyl urea 241.83
    diisobutyl methanol 177.4
    2-phenylethanol 418.77
    styrene 420.22
    dioctyl adipate 298.26
    dimethyl sulfate 632.71
    ethyl butyrate 375.0
    methyl lactate 377.04
    butyl lactate 227.72
    diethyl carbonate 277.51
    propanediol butyl ether 349.85
    triethyl orthoformate 301.61
    p-tert-butyltoluene 168.97
    methyl 4-tert-butylbenzoate 418.67
    morpholine 2730.11
    tert-butylamine 569.01
    n-dodecanol 142.36
    dimethoxymethane 1266.55
    ethylene carbonate 732.89
    cyrene 472.01
    2-ethoxyethyl acetate 562.01
    2-ethylhexyl acetate 325.22
    1,2,4-trichlorobenzene 853.03
    4-methylpyridine 1385.47
    dibutyl ether 363.79
    2,6-dimethyl-4-heptanol 177.4
    DEF 912.77
    dimethyl isosorbide 808.69
    tetrachloroethylene 1373.39
    eugenol 406.87
    triacetin 451.21
    span 80 404.63
    1,4-butanediol 308.02
    1,1-dichloroethane 1624.74
    2-methyl-1-pentanol 402.11
    methyl formate 788.48
    2-methyl-1-butanol 525.05
    n-decane 68.72
    butyronitrile 727.43
    3,7-dimethyl-1-octanol 253.32
    1-chlorooctane 226.08
    1-chlorotetradecane 104.33
    n-nonane 70.84
    undecane 51.85
    tert-butylcyclohexane 108.84
    cyclooctane 140.84
    cyclopentanol 926.4
    tetrahydropyran 2286.87
    tert-amyl methyl ether 589.51
    2,5,8-trioxanonane 936.16
    1-hexene 349.0
    2-isopropoxyethanol 598.86
    2,2,2-trifluoroethanol 457.24
    methyl butyrate 488.48

    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