Methyl furfuryl trisulfide

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  • Identifiers

    CAS number
    66169-00-4

    Molecular formula
    C6H8OS3

    SMILES
    CSSSCC1=CC=CO1

  • Odor profile

    Fragrance
    Sulfurous 84.81%
    Roasted 72.23%
    Onion 69.93%
    Garlic 64.46%
    Meaty 62.1%
    Alliaceous 57.88%
    Coffee 57.26%
    Savory 55.21%
    Cooked 50.37%
    Pungent 44.74%

     

    Flavor
    Onion 71.06%
    Sulfury 67.96%
    Meaty 66.58%
    Roasted 62.34%
    Garlic 53.87%
    Coffee 52.64%
    Sulfurous 47.96%
    Cabbage 46.37%
    Alliaceous 43.63%
    Cooked 40.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.68 (weak acid)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    296°C

    Flash point

    • 118.34 ˚C est.

  • Synonyms

    • 2-[(methyltrithio)methyl]furan
    • Methyl furfuryl trisulfide
    • 66169-00-4
    • 2-furfuryl methyl trisulfide
    • 2-[(methyltrisulfanyl)methyl]furan
    • X6AYT55P7A
    • DTXSID601020140
    • Furan, 2-[(methyltrithio)methyl]-
    • NS00124154

  • Applications

    Methyl furfuryl trisulfide (CAS 66169-00-4) is typically used as a fragrance ingredient and fixative in perfumery and cosmetics, helping to impart or preserve specific aroma notes. It may also be incorporated into household products such as air fresheners and cleaners to convey or modulate a sulfur-rich, smoky aroma profile. In industrial manufacturing, the compound can serve as an intermediate for the synthesis of specialty sulfur-containing chemicals. In polymers and plastics, it may be used as a processing aid or modifier in select formulations, potentially influencing odor characteristics or acting as a reactive component in resin systems. Use is subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 559.3
    methanol 512.61
    isopropanol 408.26
    water 1.24
    ethyl acetate 1406.64
    n-propanol 468.6
    acetone 1751.84
    n-butanol 460.0
    acetonitrile 1167.62
    DMF 1812.44
    toluene 1637.72
    isobutanol 370.7
    1,4-dioxane 5378.71
    methyl acetate 1441.89
    THF 3237.41
    2-butanone 1399.89
    n-pentanol 369.19
    sec-butanol 418.44
    n-hexane 74.9
    ethylene glycol 216.43
    NMP 1768.92
    cyclohexane 543.05
    DMSO 1916.57
    n-butyl acetate 686.77
    n-octanol 296.25
    chloroform 3775.01
    n-propyl acetate 713.63
    acetic acid 784.59
    dichloromethane 3476.81
    cyclohexanone 2420.77
    propylene glycol 236.1
    isopropyl acetate 752.54
    DMAc 1984.64
    2-ethoxyethanol 1068.77
    isopentanol 415.09
    n-heptane 117.13
    ethyl formate 700.23
    1,2-dichloroethane 2054.07
    n-hexanol 356.23
    2-methoxyethanol 1577.84
    isobutyl acetate 484.12
    tetrachloromethane 550.24
    n-pentyl acetate 502.09
    transcutol 4526.69
    n-heptanol 201.37
    ethylbenzene 424.73
    MIBK 588.13
    2-propoxyethanol 918.58
    tert-butanol 568.48
    MTBE 844.54
    2-butoxyethanol 490.75
    propionic acid 490.7
    o-xylene 679.32
    formic acid 245.16
    diethyl ether 1256.69
    m-xylene 670.93
    p-xylene 580.57
    chlorobenzene 1462.42
    dimethyl carbonate 654.33
    n-octane 50.65
    formamide 517.7
    cyclopentanone 2055.46
    2-pentanone 1039.77
    anisole 1230.71
    cyclopentyl methyl ether 1767.33
    gamma-butyrolactone 1900.75
    1-methoxy-2-propanol 1012.88
    pyridine 3153.98
    3-pentanone 1027.65
    furfural 2324.66
    n-dodecane 50.76
    diethylene glycol 866.5
    diisopropyl ether 370.66
    tert-amyl alcohol 478.6
    acetylacetone 1736.5
    n-hexadecane 61.54
    acetophenone 980.44
    methyl propionate 1069.77
    isopentyl acetate 628.66
    trichloroethylene 4047.16
    n-nonanol 276.53
    cyclohexanol 964.13
    benzyl alcohol 798.79
    2-ethylhexanol 297.4
    isooctanol 181.81
    dipropyl ether 575.31
    1,2-dichlorobenzene 1136.13
    ethyl lactate 287.66
    propylene carbonate 978.45
    n-methylformamide 662.22
    2-pentanol 331.4
    n-pentane 94.72
    1-propoxy-2-propanol 659.08
    1-methoxy-2-propyl acetate 1021.3
    2-(2-methoxypropoxy) propanol 716.4
    mesitylene 403.36
    ε-caprolactone 1715.98
    p-cymene 269.22
    epichlorohydrin 2671.56
    1,1,1-trichloroethane 1937.03
    2-aminoethanol 335.05
    morpholine-4-carbaldehyde 3263.06
    sulfolane 1870.19
    2,2,4-trimethylpentane 63.56
    2-methyltetrahydrofuran 2363.57
    n-hexyl acetate 706.95
    isooctane 49.63
    2-(2-butoxyethoxy)ethanol 1116.37
    sec-butyl acetate 516.59
    tert-butyl acetate 839.28
    decalin 166.74
    glycerin 418.8
    diglyme 2246.06
    acrylic acid 500.9
    isopropyl myristate 304.85
    n-butyric acid 688.45
    acetyl acetate 1062.99
    di(2-ethylhexyl) phthalate 287.79
    ethyl propionate 603.24
    nitromethane 1977.93
    1,2-diethoxyethane 1724.82
    benzonitrile 1127.99
    trioctyl phosphate 176.72
    1-bromopropane 899.71
    gamma-valerolactone 3183.83
    n-decanol 208.92
    triethyl phosphate 304.02
    4-methyl-2-pentanol 206.25
    propionitrile 683.24
    vinylene carbonate 1147.82
    1,1,2-trichlorotrifluoroethane 1736.82
    DMS 920.72
    cumene 245.42
    2-octanol 177.82
    2-hexanone 683.21
    octyl acetate 365.49
    limonene 443.65
    1,2-dimethoxyethane 2209.18
    ethyl orthosilicate 308.66
    tributyl phosphate 248.76
    diacetone alcohol 748.74
    N,N-dimethylaniline 694.37
    acrylonitrile 903.7
    aniline 1293.49
    1,3-propanediol 526.51
    bromobenzene 1762.12
    dibromomethane 2034.68
    1,1,2,2-tetrachloroethane 2805.25
    2-methyl-cyclohexyl acetate 527.43
    tetrabutyl urea 360.49
    diisobutyl methanol 204.98
    2-phenylethanol 610.84
    styrene 711.77
    dioctyl adipate 455.91
    dimethyl sulfate 863.36
    ethyl butyrate 551.04
    methyl lactate 442.3
    butyl lactate 342.12
    diethyl carbonate 415.11
    propanediol butyl ether 548.18
    triethyl orthoformate 463.88
    p-tert-butyltoluene 266.32
    methyl 4-tert-butylbenzoate 585.17
    morpholine 4219.83
    tert-butylamine 377.55
    n-dodecanol 171.95
    dimethoxymethane 1726.17
    ethylene carbonate 986.7
    cyrene 818.22
    2-ethoxyethyl acetate 1074.16
    2-ethylhexyl acetate 572.62
    1,2,4-trichlorobenzene 1467.87
    4-methylpyridine 2364.56
    dibutyl ether 582.58
    2,6-dimethyl-4-heptanol 204.98
    DEF 1268.2
    dimethyl isosorbide 1335.56
    tetrachloroethylene 1762.74
    eugenol 612.55
    triacetin 930.42
    span 80 631.57
    1,4-butanediol 243.29
    1,1-dichloroethane 1751.33
    2-methyl-1-pentanol 348.88
    methyl formate 650.65
    2-methyl-1-butanol 387.21
    n-decane 79.19
    butyronitrile 702.27
    3,7-dimethyl-1-octanol 309.77
    1-chlorooctane 276.25
    1-chlorotetradecane 139.75
    n-nonane 74.7
    undecane 60.9
    tert-butylcyclohexane 108.65
    cyclooctane 159.59
    cyclopentanol 807.65
    tetrahydropyran 3328.12
    tert-amyl methyl ether 693.53
    2,5,8-trioxanonane 1643.14
    1-hexene 245.09
    2-isopropoxyethanol 719.29
    2,2,2-trifluoroethanol 357.2
    methyl butyrate 750.08

    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