2,5-Dimethyl-3-furanthiol

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  • Identifiers

    CAS number
    55764-23-3

    Molecular formula
    C6H8OS

    SMILES
    CC1=CC(=C(O1)C)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 87.96%
    Roasted 83.58%
    Sulfurous 75.36%
    Burnt 54.38%
    Beefy 50.86%
    Savory 50.09%
    Coffee 49.93%
    Smoky 40.68%
    Cooked 38.36%
    Onion 36.74%

     

    Flavor
    Roasted 64.19%
    Meaty 61.34%
    Coffee 56.07%
    Sulfury 51.89%
    Burnt 45.62%
    Roast 41.21%
    Sulfurous 40.84%
    Nutty 38.18%
    Onion 35.94%
    Fishy 32.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.65 (weak acid)

    Molecular weight
    128.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 175.00 to 177.00 °C. @ 760.00 mm Hg

    Flash point

    • 36.65 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 2,5-Dimethylfuran-3-thiol
    • 55764-23-3
    • 2,5-Dimethyl-3-furanthiol
    • 3-Mercapto-2,5-dimethylfuran
    • 3-FURANTHIOL, 2,5-DIMETHYL-
    • 2,5-Dimethyl-3-mercaptofuran
    • FEMA No. 3451
    • 2,5-Dimethyl-3-furylmercaptan
    • EINECS 259-800-5
    • UNII-WCT2259X5L
    • WCT2259X5L
    • 2,5-dimethyl-furan-3-thiol
    • DTXSID10204315
    • DIMETHYL-3-FURANTHIOL, 2,5-
    • 2,5-DIMETHYL-3-FURANTHIOL [FHFI]
    • 2,5-dimethyl-3-furan thiol
    • MFCD00801026
    • SCHEMBL755488
    • 2,5-Dimethyl-3-Mercapto Furan
    • FEMA 3451
    • DTXCID10126806
    • AKOS006229372
    • SB61020
    • 2,5-dimethylfuran-3-thiol, AldrichCPR
    • LS-13138
    • DB-003235
    • D3764
    • NS00022376
    • EN300-205666
    • A830796
    • Q27292562

  • Applications

    2,5-Dimethyl-3-furanthiol (CAS 55764-23-3) is used primarily as an odorant and aroma component in fragrance and flavor applications, where its sulfur-containing notes and roasted-like character contribute to complex aroma profiles; it is often evaluated for use in perfumery and cosmetics as an aroma ingredient, and may be employed in flavor formulations to emphasize roasted notes; it is also used in household products and cleaning formulations as a fragrance additive to enhance or mask odors; in industrial manufacturing it may serve as an intermediate in the synthesis of more complex fragrance compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 777.94
    methanol 1054.58
    isopropanol 600.89
    water 94.2
    ethyl acetate 370.4
    n-propanol 614.16
    acetone 555.89
    n-butanol 549.41
    acetonitrile 447.44
    DMF 823.19
    toluene 228.81
    isobutanol 476.83
    1,4-dioxane 973.17
    methyl acetate 429.97
    THF 1018.91
    2-butanone 432.18
    n-pentanol 401.38
    sec-butanol 501.23
    n-hexane 109.36
    ethylene glycol 448.98
    NMP 675.59
    cyclohexane 115.43
    DMSO 626.32
    n-butyl acetate 149.42
    n-octanol 173.04
    chloroform 813.97
    n-propyl acetate 171.74
    acetic acid 447.27
    dichloromethane 786.41
    cyclohexanone 394.42
    propylene glycol 340.59
    isopropyl acetate 217.21
    DMAc 717.29
    2-ethoxyethanol 776.08
    isopentanol 429.43
    n-heptane 62.24
    ethyl formate 249.13
    1,2-dichloroethane 449.44
    n-hexanol 311.44
    2-methoxyethanol 1173.6
    isobutyl acetate 121.07
    tetrachloromethane 231.49
    n-pentyl acetate 140.18
    transcutol 840.67
    n-heptanol 154.09
    ethylbenzene 104.79
    MIBK 215.99
    2-propoxyethanol 602.56
    tert-butanol 614.13
    MTBE 486.85
    2-butoxyethanol 292.0
    propionic acid 315.3
    o-xylene 150.28
    formic acid 419.56
    diethyl ether 654.28
    m-xylene 161.5
    p-xylene 124.85
    chlorobenzene 218.89
    dimethyl carbonate 188.7
    n-octane 30.34
    formamide 495.84
    cyclopentanone 461.72
    2-pentanone 347.74
    anisole 277.8
    cyclopentyl methyl ether 500.64
    gamma-butyrolactone 490.86
    1-methoxy-2-propanol 750.06
    pyridine 381.65
    3-pentanone 294.89
    furfural 472.8
    n-dodecane 27.64
    diethylene glycol 599.79
    diisopropyl ether 174.07
    tert-amyl alcohol 499.35
    acetylacetone 340.14
    n-hexadecane 30.0
    acetophenone 184.03
    methyl propionate 333.69
    isopentyl acetate 141.95
    trichloroethylene 559.83
    n-nonanol 155.6
    cyclohexanol 390.33
    benzyl alcohol 216.89
    2-ethylhexanol 154.42
    isooctanol 121.59
    dipropyl ether 209.2
    1,2-dichlorobenzene 193.33
    ethyl lactate 120.86
    propylene carbonate 228.89
    n-methylformamide 469.41
    2-pentanol 359.45
    n-pentane 122.61
    1-propoxy-2-propanol 315.77
    1-methoxy-2-propyl acetate 208.9
    2-(2-methoxypropoxy) propanol 264.9
    mesitylene 100.35
    ε-caprolactone 331.99
    p-cymene 71.78
    epichlorohydrin 716.06
    1,1,1-trichloroethane 432.44
    2-aminoethanol 559.31
    morpholine-4-carbaldehyde 799.62
    sulfolane 512.24
    2,2,4-trimethylpentane 54.27
    2-methyltetrahydrofuran 744.65
    n-hexyl acetate 212.22
    isooctane 37.97
    2-(2-butoxyethoxy)ethanol 358.24
    sec-butyl acetate 133.67
    tert-butyl acetate 231.82
    decalin 56.13
    glycerin 514.4
    diglyme 588.25
    acrylic acid 278.66
    isopropyl myristate 104.35
    n-butyric acid 317.72
    acetyl acetate 209.43
    di(2-ethylhexyl) phthalate 99.75
    ethyl propionate 181.21
    nitromethane 662.13
    1,2-diethoxyethane 301.75
    benzonitrile 183.38
    trioctyl phosphate 75.57
    1-bromopropane 358.99
    gamma-valerolactone 644.7
    n-decanol 116.48
    triethyl phosphate 90.02
    4-methyl-2-pentanol 194.43
    propionitrile 313.98
    vinylene carbonate 216.81
    1,1,2-trichlorotrifluoroethane 433.73
    DMS 180.18
    cumene 82.57
    2-octanol 116.64
    2-hexanone 220.44
    octyl acetate 128.95
    limonene 105.34
    1,2-dimethoxyethane 824.51
    ethyl orthosilicate 95.07
    tributyl phosphate 89.3
    diacetone alcohol 293.59
    N,N-dimethylaniline 198.05
    acrylonitrile 303.0
    aniline 271.17
    1,3-propanediol 618.52
    bromobenzene 202.87
    dibromomethane 545.77
    1,1,2,2-tetrachloroethane 472.88
    2-methyl-cyclohexyl acetate 131.35
    tetrabutyl urea 118.38
    diisobutyl methanol 94.55
    2-phenylethanol 185.77
    styrene 129.53
    dioctyl adipate 134.62
    dimethyl sulfate 264.48
    ethyl butyrate 132.47
    methyl lactate 204.67
    butyl lactate 113.97
    diethyl carbonate 97.64
    propanediol butyl ether 237.21
    triethyl orthoformate 113.69
    p-tert-butyltoluene 73.85
    methyl 4-tert-butylbenzoate 195.82
    morpholine 950.52
    tert-butylamine 421.77
    n-dodecanol 94.22
    dimethoxymethane 719.12
    ethylene carbonate 198.22
    cyrene 259.61
    2-ethoxyethyl acetate 213.58
    2-ethylhexyl acetate 118.77
    1,2,4-trichlorobenzene 230.41
    4-methylpyridine 379.77
    dibutyl ether 167.67
    2,6-dimethyl-4-heptanol 94.55
    DEF 386.51
    dimethyl isosorbide 365.4
    tetrachloroethylene 347.76
    eugenol 203.92
    triacetin 194.88
    span 80 200.63
    1,4-butanediol 327.23
    1,1-dichloroethane 496.78
    2-methyl-1-pentanol 323.27
    methyl formate 358.78
    2-methyl-1-butanol 446.18
    n-decane 41.07
    butyronitrile 311.56
    3,7-dimethyl-1-octanol 155.36
    1-chlorooctane 112.02
    1-chlorotetradecane 57.75
    n-nonane 40.34
    undecane 32.77
    tert-butylcyclohexane 58.06
    cyclooctane 47.16
    cyclopentanol 438.45
    tetrahydropyran 642.76
    tert-amyl methyl ether 389.32
    2,5,8-trioxanonane 437.31
    1-hexene 206.22
    2-isopropoxyethanol 465.96
    2,2,2-trifluoroethanol 241.93
    methyl butyrate 205.49

    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