2-Methyl-3-thioacetoxy-4,5-dihydrofuran

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  • Identifiers

    CAS number
    26486-14-6

    Molecular formula
    C7H10O2S

    SMILES
    CC1=C(CCO1)SC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 80.62%
    Meaty 78.23%
    Roasted 68.95%
    Onion 45.16%
    Savory 43.93%
    Tropical 42.82%
    Cooked 39.35%
    Burnt 39.21%
    Coffee 34.24%
    Alliaceous 32.68%

     

    Flavor
    Roasted 47.19%
    Nutty 43.65%
    Meaty 41.43%
    Sulfury 38.13%
    Onion 36.97%
    Cooked 32.86%
    Roast 31.66%
    Potato 31.52%
    Sulfurous 31.48%
    Vegetable 30.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.15 (neutral)

    Molecular weight
    158.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 40.00 to 42.00 °C. @ 0.10 mm Hg

    Flash point

    • 82.88 ˚C est.

    Solubility expt.

    • Soluble in fats; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 26486-14-6
    • 2-Methyl-3-thioacetoxy-4,5-dihydrofuran
    • S-(4,5-Dihydro-2-methyl-3-furyl) ethanethioate
    • FEMA No. 3636
    • S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate
    • 4,5-Dihydro-2-methyl-3-furanthiyl acetate
    • 3-Furanthiol, 4,5-dihydro-2-methyl-, acetate
    • S-(4,5-Dihydro-2-methyl-3-furyl) thioacetate
    • Ethanethioic acid, S-(4,5-dihydro-2-methyl-3-furanyl) ester
    • 2-Methyl-4,5-dihydro-3-furanthiol acetate
    • EINECS 247-731-3
    • Acetic acid, thio-, S-(4,5-dihydro-2-methyl-3-furyl) ester
    • UNII-90S7214W4F
    • 90S7214W4F
    • 2-Methyl-3-(thioacetoxy)-4,5-dihydrofuran
    • CHEBI:131456
    • DTXSID601019834
    • S-(5-methyl-2,3-dihydrofuran-4-yl) ethanethioate
    • S-(2-methyl-4,5-dihydrofuran-3-yl) ethanethioate
    • METHYL-3-THIOACETOXY-4,5-DIHYDROFURAN, 2-
    • 2-METHYL-3-THIOACETOXY-4,5-DIHYDROFURAN [FHFI]
    • 1-[(2-methyl-4,5-dihydrofuran-3-yl)sulfanyl]ethan-1-one
    • 1-((2-methyl-4,5-dihydrofuran-3-yl)sulfanyl)ethan-1-one
    • FEMA 3636
    • YDYAMYYOQBGPRX-UHFFFAOYSA-N
    • DTXCID901477710
    • AKOS006311616
    • NS00050900
    • S-(4,5-dihydro-2-methyl-3-furyl)ethanethioate
    • Q27225140
    • S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate, 9CI

  • Applications

    2-Methyl-3-thioacetoxy-4,5-dihydrofuran (CAS 26486-14-6) is primarily considered a useful organic synthesis intermediate, enabling routes to sulfur-containing compounds and sulfur-bearing furan frameworks; it is commonly evaluated as a building block for pharmaceutical and agrochemical research; in polymer science it can serve as a functionalized monomer precursor to introduce thioester functionalities into polymers or related materials; additionally, it may function as a reactive intermediate in coating and ink formulations, enabling tailored properties in specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 859.47
    methanol 1367.91
    isopropanol 650.46
    water 55.05
    ethyl acetate 843.02
    n-propanol 698.9
    acetone 1411.21
    n-butanol 519.79
    acetonitrile 1218.16
    DMF 3023.1
    toluene 422.57
    isobutanol 432.87
    1,4-dioxane 1742.32
    methyl acetate 1163.84
    THF 1397.45
    2-butanone 957.44
    n-pentanol 277.37
    sec-butanol 535.32
    n-hexane 18.7
    ethylene glycol 758.92
    NMP 1495.51
    cyclohexane 39.23
    DMSO 2146.09
    n-butyl acetate 212.63
    n-octanol 165.7
    chloroform 2138.79
    n-propyl acetate 277.06
    acetic acid 607.22
    dichloromethane 1897.71
    cyclohexanone 899.2
    propylene glycol 597.06
    isopropyl acetate 409.22
    DMAc 2133.5
    2-ethoxyethanol 977.58
    isopentanol 320.73
    n-heptane 19.04
    ethyl formate 695.14
    1,2-dichloroethane 1060.67
    n-hexanol 245.26
    2-methoxyethanol 2276.58
    isobutyl acetate 165.24
    tetrachloromethane 347.6
    n-pentyl acetate 190.38
    transcutol 1032.22
    n-heptanol 135.6
    ethylbenzene 173.19
    MIBK 333.39
    2-propoxyethanol 779.27
    tert-butanol 614.38
    MTBE 448.98
    2-butoxyethanol 358.28
    propionic acid 630.86
    o-xylene 265.25
    formic acid 623.32
    diethyl ether 562.07
    m-xylene 260.8
    p-xylene 223.78
    chlorobenzene 540.61
    dimethyl carbonate 508.51
    n-octane 13.57
    formamide 995.1
    cyclopentanone 1186.85
    2-pentanone 658.0
    anisole 675.81
    cyclopentyl methyl ether 612.83
    gamma-butyrolactone 1273.27
    1-methoxy-2-propanol 1402.08
    pyridine 1125.68
    3-pentanone 540.2
    furfural 1640.4
    n-dodecane 17.26
    diethylene glycol 935.16
    diisopropyl ether 129.93
    tert-amyl alcohol 451.94
    acetylacetone 1007.95
    n-hexadecane 20.1
    acetophenone 517.25
    methyl propionate 772.93
    isopentyl acetate 190.38
    trichloroethylene 1880.85
    n-nonanol 143.26
    cyclohexanol 440.52
    benzyl alcohol 478.12
    2-ethylhexanol 131.98
    isooctanol 108.46
    dipropyl ether 150.56
    1,2-dichlorobenzene 492.41
    ethyl lactate 240.66
    propylene carbonate 555.07
    n-methylformamide 1610.88
    2-pentanol 306.61
    n-pentane 26.0
    1-propoxy-2-propanol 396.53
    1-methoxy-2-propyl acetate 397.95
    2-(2-methoxypropoxy) propanol 340.96
    mesitylene 151.65
    ε-caprolactone 729.37
    p-cymene 90.01
    epichlorohydrin 1626.04
    1,1,1-trichloroethane 1031.21
    2-aminoethanol 815.84
    morpholine-4-carbaldehyde 2127.09
    sulfolane 1273.0
    2,2,4-trimethylpentane 19.86
    2-methyltetrahydrofuran 875.06
    n-hexyl acetate 292.82
    isooctane 14.96
    2-(2-butoxyethoxy)ethanol 421.16
    sec-butyl acetate 192.08
    tert-butyl acetate 376.19
    decalin 33.35
    glycerin 1002.12
    diglyme 880.51
    acrylic acid 627.29
    isopropyl myristate 122.27
    n-butyric acid 538.34
    acetyl acetate 580.08
    di(2-ethylhexyl) phthalate 117.78
    ethyl propionate 325.67
    nitromethane 2024.1
    1,2-diethoxyethane 334.39
    benzonitrile 565.23
    trioctyl phosphate 87.64
    1-bromopropane 469.55
    gamma-valerolactone 1887.41
    n-decanol 108.11
    triethyl phosphate 136.43
    4-methyl-2-pentanol 156.72
    propionitrile 692.66
    vinylene carbonate 670.48
    1,1,2-trichlorotrifluoroethane 1231.82
    DMS 382.85
    cumene 109.85
    2-octanol 110.56
    2-hexanone 287.97
    octyl acetate 159.6
    limonene 122.45
    1,2-dimethoxyethane 1331.0
    ethyl orthosilicate 121.52
    tributyl phosphate 101.06
    diacetone alcohol 509.01
    N,N-dimethylaniline 368.56
    acrylonitrile 1016.37
    aniline 608.69
    1,3-propanediol 973.61
    bromobenzene 543.08
    dibromomethane 1081.62
    1,1,2,2-tetrachloroethane 1435.63
    2-methyl-cyclohexyl acetate 162.89
    tetrabutyl urea 153.01
    diisobutyl methanol 85.34
    2-phenylethanol 323.87
    styrene 248.69
    dioctyl adipate 169.72
    dimethyl sulfate 928.4
    ethyl butyrate 191.23
    methyl lactate 563.01
    butyl lactate 173.27
    diethyl carbonate 151.67
    propanediol butyl ether 349.1
    triethyl orthoformate 146.85
    p-tert-butyltoluene 96.23
    methyl 4-tert-butylbenzoate 318.0
    morpholine 1710.56
    tert-butylamine 300.7
    n-dodecanol 85.81
    dimethoxymethane 1482.54
    ethylene carbonate 510.29
    cyrene 393.98
    2-ethoxyethyl acetate 348.41
    2-ethylhexyl acetate 146.83
    1,2,4-trichlorobenzene 650.42
    4-methylpyridine 1130.37
    dibutyl ether 150.19
    2,6-dimethyl-4-heptanol 85.34
    DEF 891.53
    dimethyl isosorbide 496.71
    tetrachloroethylene 886.99
    eugenol 359.07
    triacetin 339.67
    span 80 241.04
    1,4-butanediol 351.79
    1,1-dichloroethane 1203.24
    2-methyl-1-pentanol 202.36
    methyl formate 1247.73
    2-methyl-1-butanol 348.38
    n-decane 25.68
    butyronitrile 554.28
    3,7-dimethyl-1-octanol 151.23
    1-chlorooctane 120.15
    1-chlorotetradecane 52.73
    n-nonane 23.67
    undecane 20.46
    tert-butylcyclohexane 31.31
    cyclooctane 17.76
    cyclopentanol 561.36
    tetrahydropyran 850.64
    tert-amyl methyl ether 337.59
    2,5,8-trioxanonane 603.8
    1-hexene 87.22
    2-isopropoxyethanol 499.12
    2,2,2-trifluoroethanol 470.44
    methyl butyrate 390.97

    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