5-Methyl-3-furanthiol

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  • Identifiers

    CAS number
    56078-97-8

    Molecular formula
    C5H6OS

    SMILES
    CC1=CC(=CO1)S

    Safety labels

  • Odor profile

    Fragrance
    Meaty 82.29%
    Sulfurous 78.46%
    Roasted 76.85%
    Burnt 55.02%
    Coffee 52.35%
    Savory 47.28%
    Beefy 44.69%
    Onion 39.09%
    Sweet 39.07%
    Cooked 36.12%

     

    Flavor
    Coffee 53.0%
    Roasted 52.99%
    Meaty 52.89%
    Sulfury 50.74%
    Sulfurous 40.19%
    Onion 36.54%
    Burnt 35.87%
    Roast 35.69%
    Nutty 33.4%
    Fishy 31.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    3.94 (weak acid)

    Molecular weight
    114.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    152°C

    Flash point

    • 28.28 ˚C est.

  • Synonyms

    • 5-methylfuran-3-thiol
    • 5-Methyl-3-furanthiol
    • DTXSID50568660
    • RefChem:304131
    • DTXCID90519434
    • 3-Furanthiol, 5-methyl-
    • 56078-97-8
    • 2-methylfuran-4-thiol
    • 4-Mercapto-2-methylfuran
    • 3KBL38L8YL
    • SCHEMBL5500568
    • 56078-97-8

  • Applications

    5-Methyl-3-furanthiol, CAS 56078-97-8, is used as an odorant and flavor attribute in fragrance and flavor applications due to its sulfur-containing, roasted note. In perfumery and cosmetics, it functions as a fragrance ingredient to impart roasted, nutty, or coffee-like nuances. In the food and beverage sector, it may be employed as an aroma additive to emphasize roasted coffee and chocolate notes, typically at trace levels. It can serve as a reactive intermediate in organic synthesis to build sulfur-containing aroma compounds. In coatings, inks, and other polymer formulations, it is used as a specialty odorant or precursor for aroma-release materials, subject to regulatory limits. It may also be evaluated for use in household products as a fragrance component, again under formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1476.22
    methanol 1833.98
    isopropanol 1065.45
    water 212.36
    ethyl acetate 575.57
    n-propanol 999.79
    acetone 985.38
    n-butanol 908.36
    acetonitrile 835.59
    DMF 1207.54
    toluene 247.17
    isobutanol 768.1
    1,4-dioxane 1289.17
    methyl acetate 717.19
    THF 1327.07
    2-butanone 679.02
    n-pentanol 699.9
    sec-butanol 840.14
    n-hexane 120.88
    ethylene glycol 840.0
    NMP 820.82
    cyclohexane 111.31
    DMSO 843.56
    n-butyl acetate 235.69
    n-octanol 321.88
    chloroform 793.42
    n-propyl acetate 285.97
    acetic acid 1092.54
    dichloromethane 784.92
    cyclohexanone 488.17
    propylene glycol 688.79
    isopropyl acetate 299.13
    DMAc 1076.24
    2-ethoxyethanol 1331.21
    isopentanol 675.79
    n-heptane 101.04
    ethyl formate 402.79
    1,2-dichloroethane 450.11
    n-hexanol 547.54
    2-methoxyethanol 1905.21
    isobutyl acetate 190.73
    tetrachloromethane 238.78
    n-pentyl acetate 201.01
    transcutol 1565.43
    n-heptanol 267.31
    ethylbenzene 119.51
    MIBK 320.06
    2-propoxyethanol 1021.2
    tert-butanol 1087.77
    MTBE 733.17
    2-butoxyethanol 501.32
    propionic acid 598.09
    o-xylene 173.55
    formic acid 895.17
    diethyl ether 908.18
    m-xylene 187.4
    p-xylene 143.13
    chlorobenzene 228.91
    dimethyl carbonate 276.23
    n-octane 43.02
    formamide 838.73
    cyclopentanone 574.22
    2-pentanone 544.06
    anisole 366.97
    cyclopentyl methyl ether 630.67
    gamma-butyrolactone 593.44
    1-methoxy-2-propanol 1165.04
    pyridine 495.29
    3-pentanone 424.73
    furfural 580.29
    n-dodecane 42.83
    diethylene glycol 1037.63
    diisopropyl ether 252.08
    tert-amyl alcohol 810.48
    acetylacetone 500.23
    n-hexadecane 46.02
    acetophenone 257.14
    methyl propionate 502.55
    isopentyl acetate 212.27
    trichloroethylene 611.41
    n-nonanol 274.5
    cyclohexanol 541.75
    benzyl alcohol 332.25
    2-ethylhexanol 263.15
    isooctanol 205.44
    dipropyl ether 322.88
    1,2-dichlorobenzene 193.82
    ethyl lactate 195.84
    propylene carbonate 293.25
    n-methylformamide 759.4
    2-pentanol 614.9
    n-pentane 161.47
    1-propoxy-2-propanol 579.11
    1-methoxy-2-propyl acetate 309.3
    2-(2-methoxypropoxy) propanol 458.22
    mesitylene 119.51
    ε-caprolactone 441.84
    p-cymene 94.26
    epichlorohydrin 820.2
    1,1,1-trichloroethane 458.87
    2-aminoethanol 1028.69
    morpholine-4-carbaldehyde 1109.45
    sulfolane 503.53
    2,2,4-trimethylpentane 82.28
    2-methyltetrahydrofuran 938.1
    n-hexyl acetate 305.1
    isooctane 67.07
    2-(2-butoxyethoxy)ethanol 621.25
    sec-butyl acetate 196.44
    tert-butyl acetate 319.34
    decalin 62.47
    glycerin 906.65
    diglyme 939.12
    acrylic acid 529.8
    isopropyl myristate 148.27
    n-butyric acid 529.43
    acetyl acetate 313.96
    di(2-ethylhexyl) phthalate 150.4
    ethyl propionate 256.42
    nitromethane 1199.2
    1,2-diethoxyethane 511.43
    benzonitrile 261.41
    trioctyl phosphate 112.85
    1-bromopropane 384.87
    gamma-valerolactone 865.2
    n-decanol 210.06
    triethyl phosphate 117.73
    4-methyl-2-pentanol 331.46
    propionitrile 473.48
    vinylene carbonate 278.26
    1,1,2-trichlorotrifluoroethane 597.01
    DMS 234.67
    cumene 97.26
    2-octanol 190.9
    2-hexanone 348.6
    octyl acetate 196.62
    limonene 147.57
    1,2-dimethoxyethane 1265.8
    ethyl orthosilicate 128.96
    tributyl phosphate 128.95
    diacetone alcohol 448.2
    N,N-dimethylaniline 258.79
    acrylonitrile 455.87
    aniline 375.67
    1,3-propanediol 1078.73
    bromobenzene 188.22
    dibromomethane 514.13
    1,1,2,2-tetrachloroethane 462.05
    2-methyl-cyclohexyl acetate 173.42
    tetrabutyl urea 167.54
    diisobutyl methanol 156.08
    2-phenylethanol 288.32
    styrene 150.25
    dioctyl adipate 190.12
    dimethyl sulfate 336.04
    ethyl butyrate 191.14
    methyl lactate 316.91
    butyl lactate 175.17
    diethyl carbonate 132.72
    propanediol butyl ether 435.21
    triethyl orthoformate 162.53
    p-tert-butyltoluene 97.62
    methyl 4-tert-butylbenzoate 257.96
    morpholine 1362.78
    tert-butylamine 702.77
    n-dodecanol 170.09
    dimethoxymethane 1029.15
    ethylene carbonate 256.66
    cyrene 369.81
    2-ethoxyethyl acetate 313.67
    2-ethylhexyl acetate 168.4
    1,2,4-trichlorobenzene 242.65
    4-methylpyridine 497.26
    dibutyl ether 258.61
    2,6-dimethyl-4-heptanol 156.08
    DEF 585.95
    dimethyl isosorbide 489.84
    tetrachloroethylene 348.86
    eugenol 291.8
    triacetin 295.3
    span 80 341.52
    1,4-butanediol 614.42
    1,1-dichloroethane 549.91
    2-methyl-1-pentanol 530.5
    methyl formate 593.46
    2-methyl-1-butanol 695.2
    n-decane 63.82
    butyronitrile 477.98
    3,7-dimethyl-1-octanol 279.89
    1-chlorooctane 167.55
    1-chlorotetradecane 88.23
    n-nonane 62.84
    undecane 50.43
    tert-butylcyclohexane 70.66
    cyclooctane 48.21
    cyclopentanol 617.76
    tetrahydropyran 868.44
    tert-amyl methyl ether 549.09
    2,5,8-trioxanonane 727.68
    1-hexene 261.92
    2-isopropoxyethanol 862.08
    2,2,2-trifluoroethanol 489.44
    methyl butyrate 305.9

    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