3-(Acetylthio)-2-methylfuran

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  • Identifiers

    CAS number
    55764-25-5

    Molecular formula
    C7H8O2S

    SMILES
    CC1=C(C=CO1)SC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 82.83%
    Sulfurous 77.91%
    Roasted 76.42%
    Coffee 53.37%
    Burnt 51.64%
    Savory 45.37%
    Cooked 43.57%
    Beefy 41.94%
    Onion 38.16%
    Floral 38.0%

     

    Flavor
    Roasted 61.15%
    Sulfury 60.89%
    Meaty 55.15%
    Coffee 49.61%
    Onion 49.05%
    Nutty 47.01%
    Roast 43.44%
    Burnt 42.49%
    Cooked 39.9%
    Sulfurous 36.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.52 (neutral)

    Molecular weight
    156.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 222.00 to 224.00 °C. @ 760.00 mm Hg

    Flash point

    • 81.21 ˚C est.

    Solubility expt.

    • Insoluble in water,slightly soluble in heptane, soluble in tri-acetin
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 55764-25-5
    • 3-(Acetylthio)-2-methylfuran
    • S-(2-methylfuran-3-yl) ethanethioate
    • 2-Methyl-3-furanthiol acetate
    • 2-Methylfuran-3-thiol acetate
    • Ethanethioic acid, S-(2-methyl-3-furanyl) ester
    • S-(2-Methyl-3-furyl) ethanethioate
    • s-(2-methyl-3-furyl) thioacetate
    • 7277JEE7AF
    • 2-Methyl-3-furanthiol, acetate
    • S-(2-methyl-3-furyl) ethane thioate
    • DTXSID5069047
    • FEMA NO. 3973
    • 2-METHYL-3-THIOACETOXYFURAN
    • EINECS 259-801-0
    • 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one
    • ETHANETHIOIC ACID, S-(2-METHYL-3-FURANYL) ESTER [FHFI]
    • 1-((2-methylfuran-3-yl)sulfanyl)ethan-1-one
    • MFCD01632595
    • Thioacetic acid S-(2-methyl-3-furyl) ester
    • 3-Acetylthio-2-methylfuran
    • UNII-7277JEE7AF
    • SCHEMBL921135
    • DTXCID7041960
    • CHEBI:173663
    • s-(2-methyl-3-furyl)-ethanethioate
    • S-(2-methylfuran-3-yl)ethanethioate
    • S-(2-methyluran-3-yl) ethanethioate
    • AKOS015950878
    • 2-Methyl-3-furanthiol acetate, 98%, FG
    • DB-072047
    • CS-0119597
    • M2661
    • NS00022377
    • E77168
    • Q27266033
    • 259-801-0

  • Applications

    3-(Acetylthio)-2-methylfuran (CAS 55764-25-5) is primarily used as an organic synthesis intermediate, serving as a building block to access substituted furans. In practice, it is commonly evaluated for the preparation of intermediates for pharmaceuticals and agrochemicals, and can be a precursor in specialty polymer and resin chemistries. It may also be employed as a reactive intermediate in coatings or inks formulations and is sometimes explored in research settings for advanced electronic-material applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 655.47
    methanol 1006.41
    isopropanol 533.88
    water 42.82
    ethyl acetate 790.69
    n-propanol 524.51
    acetone 1415.75
    n-butanol 396.91
    acetonitrile 876.56
    DMF 3381.55
    toluene 395.85
    isobutanol 364.96
    1,4-dioxane 1731.03
    methyl acetate 1113.5
    THF 1603.22
    2-butanone 948.14
    n-pentanol 232.06
    sec-butanol 454.77
    n-hexane 31.16
    ethylene glycol 579.51
    NMP 1725.07
    cyclohexane 50.23
    DMSO 2361.9
    n-butyl acetate 207.33
    n-octanol 176.99
    chloroform 1306.84
    n-propyl acetate 269.43
    acetic acid 408.83
    dichloromethane 1361.16
    cyclohexanone 861.03
    propylene glycol 481.48
    isopropyl acetate 385.67
    DMAc 2583.9
    2-ethoxyethanol 847.96
    isopentanol 284.34
    n-heptane 27.49
    ethyl formate 612.91
    1,2-dichloroethane 836.95
    n-hexanol 221.71
    2-methoxyethanol 1948.22
    isobutyl acetate 167.06
    tetrachloromethane 262.15
    n-pentyl acetate 186.03
    transcutol 869.13
    n-heptanol 127.3
    ethylbenzene 180.92
    MIBK 361.43
    2-propoxyethanol 706.52
    tert-butanol 594.36
    MTBE 512.28
    2-butoxyethanol 310.47
    propionic acid 460.61
    o-xylene 261.81
    formic acid 391.48
    diethyl ether 590.99
    m-xylene 261.55
    p-xylene 231.01
    chlorobenzene 430.92
    dimethyl carbonate 632.53
    n-octane 19.45
    formamide 724.07
    cyclopentanone 1222.97
    2-pentanone 678.66
    anisole 691.1
    cyclopentyl methyl ether 704.59
    gamma-butyrolactone 1232.41
    1-methoxy-2-propanol 1231.91
    pyridine 875.69
    3-pentanone 568.89
    furfural 1373.12
    n-dodecane 23.74
    diethylene glycol 821.61
    diisopropyl ether 155.83
    tert-amyl alcohol 444.78
    acetylacetone 1029.96
    n-hexadecane 27.41
    acetophenone 488.38
    methyl propionate 864.36
    isopentyl acetate 185.47
    trichloroethylene 1354.02
    n-nonanol 152.05
    cyclohexanol 415.2
    benzyl alcohol 403.75
    2-ethylhexanol 129.39
    isooctanol 106.53
    dipropyl ether 169.69
    1,2-dichlorobenzene 408.05
    ethyl lactate 228.89
    propylene carbonate 513.74
    n-methylformamide 1295.25
    2-pentanol 272.2
    n-pentane 36.0
    1-propoxy-2-propanol 369.45
    1-methoxy-2-propyl acetate 397.97
    2-(2-methoxypropoxy) propanol 323.18
    mesitylene 159.5
    ε-caprolactone 680.18
    p-cymene 92.63
    epichlorohydrin 1484.41
    1,1,1-trichloroethane 791.19
    2-aminoethanol 575.15
    morpholine-4-carbaldehyde 2166.51
    sulfolane 1393.81
    2,2,4-trimethylpentane 28.24
    2-methyltetrahydrofuran 920.77
    n-hexyl acetate 285.9
    isooctane 19.95
    2-(2-butoxyethoxy)ethanol 393.99
    sec-butyl acetate 190.99
    tert-butyl acetate 388.16
    decalin 40.75
    glycerin 799.36
    diglyme 808.8
    acrylic acid 445.44
    isopropyl myristate 126.83
    n-butyric acid 406.17
    acetyl acetate 484.73
    di(2-ethylhexyl) phthalate 121.93
    ethyl propionate 329.35
    nitromethane 1587.12
    1,2-diethoxyethane 330.85
    benzonitrile 431.88
    trioctyl phosphate 93.32
    1-bromopropane 394.13
    gamma-valerolactone 1763.43
    n-decanol 116.79
    triethyl phosphate 137.23
    4-methyl-2-pentanol 153.56
    propionitrile 533.47
    vinylene carbonate 554.73
    1,1,2-trichlorotrifluoroethane 1016.26
    DMS 395.73
    cumene 119.14
    2-octanol 118.09
    2-hexanone 306.93
    octyl acetate 164.54
    limonene 127.83
    1,2-dimethoxyethane 1335.09
    ethyl orthosilicate 125.66
    tributyl phosphate 104.49
    diacetone alcohol 525.89
    N,N-dimethylaniline 404.08
    acrylonitrile 773.1
    aniline 505.26
    1,3-propanediol 729.15
    bromobenzene 450.25
    dibromomethane 750.54
    1,1,2,2-tetrachloroethane 1077.53
    2-methyl-cyclohexyl acetate 167.1
    tetrabutyl urea 161.84
    diisobutyl methanol 89.73
    2-phenylethanol 287.48
    styrene 242.15
    dioctyl adipate 172.02
    dimethyl sulfate 1171.08
    ethyl butyrate 192.41
    methyl lactate 579.52
    butyl lactate 158.96
    diethyl carbonate 154.28
    propanediol butyl ether 310.15
    triethyl orthoformate 148.33
    p-tert-butyltoluene 99.36
    methyl 4-tert-butylbenzoate 318.5
    morpholine 1583.22
    tert-butylamine 305.2
    n-dodecanol 94.3
    dimethoxymethane 1748.84
    ethylene carbonate 446.78
    cyrene 408.49
    2-ethoxyethyl acetate 336.54
    2-ethylhexyl acetate 144.23
    1,2,4-trichlorobenzene 520.35
    4-methylpyridine 930.71
    dibutyl ether 166.23
    2,6-dimethyl-4-heptanol 89.73
    DEF 942.46
    dimethyl isosorbide 497.23
    tetrachloroethylene 669.82
    eugenol 332.74
    triacetin 308.64
    span 80 222.56
    1,4-butanediol 279.7
    1,1-dichloroethane 888.11
    2-methyl-1-pentanol 185.09
    methyl formate 1181.45
    2-methyl-1-butanol 297.3
    n-decane 34.72
    butyronitrile 433.5
    3,7-dimethyl-1-octanol 153.52
    1-chlorooctane 135.58
    1-chlorotetradecane 62.54
    n-nonane 33.13
    undecane 27.85
    tert-butylcyclohexane 40.02
    cyclooctane 25.7
    cyclopentanol 507.02
    tetrahydropyran 837.99
    tert-amyl methyl ether 384.42
    2,5,8-trioxanonane 579.71
    1-hexene 105.56
    2-isopropoxyethanol 458.9
    2,2,2-trifluoroethanol 335.2
    methyl butyrate 397.21

    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