5-Methyl-2-furanmethanethiol

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  • Identifiers

    CAS number
    59303-05-8

    Molecular formula
    C6H8OS

    SMILES
    CC1=CC=C(O1)CS

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 86.77%
    Roasted 78.87%
    Meaty 73.11%
    Coffee 70.43%
    Burnt 53.8%
    Onion 53.6%
    Savory 53.4%
    Alliaceous 49.79%
    Garlic 48.71%
    Beefy 46.2%

     

    Flavor
    Roasted 70.58%
    Coffee 69.77%
    Sulfury 67.46%
    Meaty 59.99%
    Sulfurous 59.11%
    Roast 55.21%
    Burnt 49.05%
    Onion 47.95%
    Fishy 44.54%
    Sulfur 42.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.18 (neutral)

    Molecular weight
    128.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 177.00 to 179.00 °C. @ 760.00 mm Hg

    Flash point

    • 41.23 ˚C est.

    Solubility expt.

    • slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • (5-methylfuran-2-yl)methanethiol
    • 59303-05-8
    • 5-METHYL-2-FURANMETHANETHIOL
    • 2-Furanmethanethiol, 5-methyl-
    • (5-Methyl-2-furyl)methanethiol
    • 5-Methylfurfurylmercaptan
    • Fema No. 4697
    • 1NB0MP3CK9
    • methylfurfurylthiol,5-methyl-2-furfurylthiol
    • 5-Methyl-2-furfurylthiol
    • 5-Methylfurfuryl mercaptan
    • UNII-1NB0MP3CK9
    • 2-Methyl-5-thiomethylfuran
    • (5-Methylfurfuryl)mercaptan
    • 5-Methyl-2-furfurylmercaptan
    • DTXSID90334765
    • 2-(Mercaptomethyl)-5-methylfuran
    • MFCD21338826
    • 5-Methylfurfuryl-mercaptan
    • SCHEMBL944013
    • 5-methyl-2-furanylmethylmercaptan
    • DTXCID40285854
    • (5-methyl-furan-2-yl)-methanethiol
    • AKOS015904777
    • DB-306834
    • NS00123433
    • EN300-726385
    • 801-700-6

  • Applications

    5-Methyl-2-furanmethanethiol (CAS 59303-05-8) is a potent odor-active compound primarily used as an aroma ingredient in perfumery due to its roasty, mushroom-like notes. It is also evaluated for flavor formulations to impart roasted or umami characteristics in foods. In cosmetics and personal care, it may appear as a fragrance component, and in household products it can serve as a scent additive in cleaners and air fresheners. It may also be encountered as an odorant or odorant precursor in coatings/inks and other industrial formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 475.45
    methanol 716.83
    isopropanol 337.21
    water 22.41
    ethyl acetate 223.06
    n-propanol 352.88
    acetone 474.62
    n-butanol 293.58
    acetonitrile 323.69
    DMF 742.12
    toluene 140.27
    isobutanol 275.35
    1,4-dioxane 634.44
    methyl acetate 310.9
    THF 594.33
    2-butanone 332.5
    n-pentanol 234.5
    sec-butanol 292.26
    n-hexane 56.55
    ethylene glycol 317.84
    NMP 539.87
    cyclohexane 44.52
    DMSO 819.17
    n-butyl acetate 104.35
    n-octanol 157.37
    chloroform 639.98
    n-propyl acetate 124.54
    acetic acid 305.55
    dichloromethane 611.67
    cyclohexanone 327.62
    propylene glycol 285.33
    isopropyl acetate 142.95
    DMAc 666.08
    2-ethoxyethanol 491.59
    isopentanol 223.6
    n-heptane 37.04
    ethyl formate 162.44
    1,2-dichloroethane 334.44
    n-hexanol 204.64
    2-methoxyethanol 767.04
    isobutyl acetate 99.81
    tetrachloromethane 145.72
    n-pentyl acetate 116.76
    transcutol 766.78
    n-heptanol 123.93
    ethylbenzene 78.24
    MIBK 173.09
    2-propoxyethanol 424.72
    tert-butanol 333.14
    MTBE 264.66
    2-butoxyethanol 232.99
    propionic acid 248.88
    o-xylene 109.94
    formic acid 186.75
    diethyl ether 281.38
    m-xylene 108.08
    p-xylene 102.4
    chlorobenzene 177.88
    dimethyl carbonate 140.65
    n-octane 22.54
    formamide 221.4
    cyclopentanone 434.09
    2-pentanone 265.99
    anisole 218.25
    cyclopentyl methyl ether 281.53
    gamma-butyrolactone 392.2
    1-methoxy-2-propanol 517.35
    pyridine 302.77
    3-pentanone 216.11
    furfural 395.59
    n-dodecane 25.0
    diethylene glycol 468.07
    diisopropyl ether 92.6
    tert-amyl alcohol 262.97
    acetylacetone 329.0
    n-hexadecane 27.2
    acetophenone 175.71
    methyl propionate 225.54
    isopentyl acetate 104.69
    trichloroethylene 511.73
    n-nonanol 133.12
    cyclohexanol 202.86
    benzyl alcohol 178.25
    2-ethylhexanol 107.13
    isooctanol 100.03
    dipropyl ether 127.71
    1,2-dichlorobenzene 164.95
    ethyl lactate 114.29
    propylene carbonate 176.99
    n-methylformamide 306.55
    2-pentanol 194.52
    n-pentane 50.73
    1-propoxy-2-propanol 235.8
    1-methoxy-2-propyl acetate 164.19
    2-(2-methoxypropoxy) propanol 223.3
    mesitylene 76.2
    ε-caprolactone 246.4
    p-cymene 60.87
    epichlorohydrin 484.89
    1,1,1-trichloroethane 332.41
    2-aminoethanol 382.0
    morpholine-4-carbaldehyde 613.49
    sulfolane 500.22
    2,2,4-trimethylpentane 30.54
    2-methyltetrahydrofuran 378.16
    n-hexyl acetate 188.44
    isooctane 25.54
    2-(2-butoxyethoxy)ethanol 295.68
    sec-butyl acetate 98.01
    tert-butyl acetate 159.87
    decalin 36.01
    glycerin 401.13
    diglyme 499.14
    acrylic acid 250.04
    isopropyl myristate 92.14
    n-butyric acid 207.99
    acetyl acetate 157.92
    di(2-ethylhexyl) phthalate 94.67
    ethyl propionate 126.19
    nitromethane 468.17
    1,2-diethoxyethane 210.89
    benzonitrile 176.01
    trioctyl phosphate 70.45
    1-bromopropane 227.07
    gamma-valerolactone 490.07
    n-decanol 102.87
    triethyl phosphate 72.49
    4-methyl-2-pentanol 121.26
    propionitrile 225.91
    vinylene carbonate 179.76
    1,1,2-trichlorotrifluoroethane 359.82
    DMS 168.48
    cumene 69.77
    2-octanol 96.83
    2-hexanone 175.11
    octyl acetate 113.53
    limonene 82.75
    1,2-dimethoxyethane 590.3
    ethyl orthosilicate 73.39
    tributyl phosphate 74.54
    diacetone alcohol 233.99
    N,N-dimethylaniline 165.47
    acrylonitrile 270.26
    aniline 188.43
    1,3-propanediol 387.41
    bromobenzene 179.11
    dibromomethane 393.29
    1,1,2,2-tetrachloroethane 435.28
    2-methyl-cyclohexyl acetate 103.74
    tetrabutyl urea 107.24
    diisobutyl methanol 72.24
    2-phenylethanol 148.29
    styrene 102.37
    dioctyl adipate 117.04
    dimethyl sulfate 266.67
    ethyl butyrate 97.09
    methyl lactate 186.38
    butyl lactate 109.07
    diethyl carbonate 76.96
    propanediol butyl ether 237.83
    triethyl orthoformate 84.1
    p-tert-butyltoluene 63.04
    methyl 4-tert-butylbenzoate 169.02
    morpholine 549.77
    tert-butylamine 212.76
    n-dodecanol 84.21
    dimethoxymethane 476.25
    ethylene carbonate 136.28
    cyrene 216.07
    2-ethoxyethyl acetate 171.14
    2-ethylhexyl acetate 84.78
    1,2,4-trichlorobenzene 212.97
    4-methylpyridine 286.84
    dibutyl ether 131.34
    2,6-dimethyl-4-heptanol 72.24
    DEF 295.93
    dimethyl isosorbide 273.6
    tetrachloroethylene 298.69
    eugenol 189.42
    triacetin 185.01
    span 80 187.84
    1,4-butanediol 234.7
    1,1-dichloroethane 372.52
    2-methyl-1-pentanol 192.16
    methyl formate 242.39
    2-methyl-1-butanol 241.35
    n-decane 35.09
    butyronitrile 190.73
    3,7-dimethyl-1-octanol 124.19
    1-chlorooctane 103.11
    1-chlorotetradecane 54.44
    n-nonane 34.62
    undecane 28.67
    tert-butylcyclohexane 40.73
    cyclooctane 20.98
    cyclopentanol 252.73
    tetrahydropyran 339.16
    tert-amyl methyl ether 202.43
    2,5,8-trioxanonane 378.02
    1-hexene 121.89
    2-isopropoxyethanol 313.13
    2,2,2-trifluoroethanol 143.56
    methyl butyrate 157.73

    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