2,5-Dimethyl-3-thioacetoxyfuran

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  • Identifiers

    CAS number
    55764-22-2

    Molecular formula
    C8H10O2S

    SMILES
    CC1=CC(=C(O1)C)SC(=O)C

  • Odor profile

    Fragrance
    Meaty 78.36%
    Roasted 72.35%
    Sulfurous 64.06%
    Fruity 61.13%
    Floral 52.43%
    Tropical 45.82%
    Burnt 43.46%
    Coffee 38.5%
    Cooked 38.0%
    Savory 37.58%

     

    Flavor
    Roasted 60.65%
    Meaty 53.46%
    Sulfury 47.88%
    Nutty 46.66%
    Burnt 44.53%
    Coffee 43.12%
    Roast 38.4%
    Onion 35.15%
    Cooked 32.32%
    Sulfurous 30.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.02 (neutral)

    Molecular weight
    170.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    222°C

    Flash point

    • 88.41 ˚C est.

    Solubility expt.

    • Practically insoluble in water and hexane; Soluble in ether
    • Soluble (in ethanol)

  • Synonyms

    • 55764-22-2
    • S-(2,5-dimethylfuran-3-yl) ethanethioate
    • Ethanethioic acid, S-(2,5-dimethyl-3-furanyl) ester
    • S-(2,5-Dimethyl-3-furyl) ethanethioate
    • 2,5-Dimethyl-3-furanthiol acetate
    • 2,5-Dimethyl-3-thioacetoxyfuran
    • EINECS 259-799-1
    • S-(2,5-Dimethyl-3-furyl) thioacetate
    • 6FAQ96BE1Q
    • 1-[(2,5-dimethylfuran-3-yl)sulfanyl]ethan-1-one
    • DTXSID0069046
    • FEMA NO. 4034
    • 2,5-DIMETHYL-3-FURANTHIYL ACETATE
    • 2,5-DIMETHYL-3-FURANTHIOL ACETATE [FHFI]
    • THIOACETIC ACID S-(2,5-DIMETHYL-FURAN-3-YL) ESTER
    • 1-((2,5-dimethylfuran-3-yl)sulfanyl)ethan-1-one
    • UNII-6FAQ96BE1Q
    • SCHEMBL3507263
    • DTXCID8041959
    • CHEBI:173776
    • LULNJORVPBVGRB-UHFFFAOYSA-N
    • AKOS028108481
    • s-(2,5-Dimethyl-3-furyl)thioacetate
    • S-(2,5-dimethyluran-3-yl) ethanethioate
    • NS00022375
    • Q27264816
    • 259-799-1

  • Applications

    2,5-Dimethyl-3-thioacetoxyfuran, CAS 55764-22-2, is commonly used as an intermediate in organic synthesis and as a masked thiol for downstream functionalization. In practical terms, it may serve as a fragrance/odorant precursor in perfumery and cosmetic formulations, a building block for sulfur-containing specialty chemicals in industrial manufacturing, and a reactive intermediate or crosslinking component in coatings, inks, and adhesives; it may also be explored as a precursor for further sulfur-heterocycle synthesis in pharmaceutical or agrochemical research, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 505.69
    methanol 680.58
    isopropanol 403.98
    water 31.5
    ethyl acetate 773.43
    n-propanol 402.77
    acetone 1095.14
    n-butanol 363.03
    acetonitrile 938.31
    DMF 1967.96
    toluene 601.66
    isobutanol 321.72
    1,4-dioxane 1868.25
    methyl acetate 1010.81
    THF 1795.41
    2-butanone 770.42
    n-pentanol 232.89
    sec-butanol 371.42
    n-hexane 61.66
    ethylene glycol 311.5
    NMP 1565.45
    cyclohexane 162.28
    DMSO 1056.45
    n-butyl acetate 315.36
    n-octanol 243.29
    chloroform 1525.63
    n-propyl acetate 356.39
    acetic acid 407.7
    dichloromethane 1648.82
    cyclohexanone 1065.3
    propylene glycol 261.56
    isopropyl acetate 403.93
    DMAc 1743.64
    2-ethoxyethanol 573.3
    isopentanol 277.74
    n-heptane 61.05
    ethyl formate 626.47
    1,2-dichloroethane 828.21
    n-hexanol 300.93
    2-methoxyethanol 1167.11
    isobutyl acetate 221.22
    tetrachloromethane 304.3
    n-pentyl acetate 261.16
    transcutol 781.95
    n-heptanol 157.58
    ethylbenzene 303.14
    MIBK 331.86
    2-propoxyethanol 727.97
    tert-butanol 508.41
    MTBE 522.67
    2-butoxyethanol 297.32
    propionic acid 382.22
    o-xylene 405.63
    formic acid 244.88
    diethyl ether 628.58
    m-xylene 422.16
    p-xylene 372.26
    chlorobenzene 584.18
    dimethyl carbonate 544.37
    n-octane 38.11
    formamide 447.13
    cyclopentanone 1245.08
    2-pentanone 599.0
    anisole 723.9
    cyclopentyl methyl ether 809.29
    gamma-butyrolactone 1383.12
    1-methoxy-2-propanol 825.22
    pyridine 881.35
    3-pentanone 566.48
    furfural 1208.76
    n-dodecane 45.32
    diethylene glycol 702.23
    diisopropyl ether 186.71
    tert-amyl alcohol 409.29
    acetylacetone 861.24
    n-hexadecane 52.39
    acetophenone 523.81
    methyl propionate 747.42
    isopentyl acetate 255.1
    trichloroethylene 1438.83
    n-nonanol 209.53
    cyclohexanol 530.06
    benzyl alcohol 430.63
    2-ethylhexanol 190.64
    isooctanol 130.5
    dipropyl ether 261.04
    1,2-dichlorobenzene 526.83
    ethyl lactate 228.31
    propylene carbonate 714.03
    n-methylformamide 811.81
    2-pentanol 264.21
    n-pentane 71.84
    1-propoxy-2-propanol 393.5
    1-methoxy-2-propyl acetate 426.59
    2-(2-methoxypropoxy) propanol 320.12
    mesitylene 237.83
    ε-caprolactone 869.19
    p-cymene 159.23
    epichlorohydrin 1519.15
    1,1,1-trichloroethane 855.61
    2-aminoethanol 347.22
    morpholine-4-carbaldehyde 1830.11
    sulfolane 1301.14
    2,2,4-trimethylpentane 44.41
    2-methyltetrahydrofuran 1127.41
    n-hexyl acetate 418.97
    isooctane 29.48
    2-(2-butoxyethoxy)ethanol 403.59
    sec-butyl acetate 238.92
    tert-butyl acetate 403.69
    decalin 86.41
    glycerin 405.15
    diglyme 773.47
    acrylic acid 378.39
    isopropyl myristate 195.48
    n-butyric acid 389.96
    acetyl acetate 539.75
    di(2-ethylhexyl) phthalate 166.44
    ethyl propionate 402.47
    nitromethane 1223.02
    1,2-diethoxyethane 401.85
    benzonitrile 530.69
    trioctyl phosphate 134.14
    1-bromopropane 463.45
    gamma-valerolactone 1636.56
    n-decanol 164.47
    triethyl phosphate 180.94
    4-methyl-2-pentanol 145.11
    propionitrile 565.68
    vinylene carbonate 737.8
    1,1,2-trichlorotrifluoroethane 747.28
    DMS 498.91
    cumene 191.18
    2-octanol 152.77
    2-hexanone 353.56
    octyl acetate 259.3
    limonene 226.57
    1,2-dimethoxyethane 1238.19
    ethyl orthosilicate 168.98
    tributyl phosphate 150.65
    diacetone alcohol 431.79
    N,N-dimethylaniline 457.25
    acrylonitrile 695.93
    aniline 522.33
    1,3-propanediol 470.59
    bromobenzene 615.9
    dibromomethane 942.96
    1,1,2,2-tetrachloroethane 1055.8
    2-methyl-cyclohexyl acetate 256.94
    tetrabutyl urea 227.85
    diisobutyl methanol 115.62
    2-phenylethanol 385.8
    styrene 371.97
    dioctyl adipate 255.43
    dimethyl sulfate 801.89
    ethyl butyrate 291.78
    methyl lactate 410.24
    butyl lactate 200.78
    diethyl carbonate 232.63
    propanediol butyl ether 279.85
    triethyl orthoformate 209.98
    p-tert-butyltoluene 163.86
    methyl 4-tert-butylbenzoate 383.95
    morpholine 1505.24
    tert-butylamine 314.73
    n-dodecanol 135.75
    dimethoxymethane 1334.34
    ethylene carbonate 632.72
    cyrene 420.43
    2-ethoxyethyl acetate 376.32
    2-ethylhexyl acetate 218.57
    1,2,4-trichlorobenzene 609.02
    4-methylpyridine 1032.0
    dibutyl ether 249.64
    2,6-dimethyl-4-heptanol 115.62
    DEF 797.49
    dimethyl isosorbide 625.19
    tetrachloroethylene 699.92
    eugenol 369.17
    triacetin 398.52
    span 80 268.36
    1,4-butanediol 207.67
    1,1-dichloroethane 879.64
    2-methyl-1-pentanol 202.8
    methyl formate 867.52
    2-methyl-1-butanol 284.98
    n-decane 64.24
    butyronitrile 510.75
    3,7-dimethyl-1-octanol 208.59
    1-chlorooctane 206.3
    1-chlorotetradecane 105.02
    n-nonane 63.46
    undecane 52.69
    tert-butylcyclohexane 73.65
    cyclooctane 65.83
    cyclopentanol 571.21
    tetrahydropyran 1085.29
    tert-amyl methyl ether 424.16
    2,5,8-trioxanonane 571.89
    1-hexene 166.29
    2-isopropoxyethanol 369.28
    2,2,2-trifluoroethanol 293.41
    methyl butyrate 497.56

    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