2-Methyl-3-(methylsulfanylmethyldisulfanyl)furan

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  • Identifiers

    CAS number
    333384-99-9

    Molecular formula
    C7H10OS3

    SMILES
    CC1=C(C=CO1)SSCSC

  • Odor profile

    Fragrance
    Sulfurous 79.16%
    Meaty 76.27%
    Roasted 74.38%
    Onion 57.24%
    Savory 52.23%
    Coffee 48.65%
    Cooked 48.55%
    Garlic 46.66%
    Beefy 45.83%
    Alliaceous 38.7%

     

    Flavor
    Onion 72.36%
    Sulfury 63.62%
    Meaty 63.04%
    Roasted 59.12%
    Garlic 55.36%
    Sulfurous 51.2%
    Alliaceous 44.22%
    Cabbage 43.92%
    Coffee 43.37%
    Cooked 39.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    4.31 (weak acid)

    Molecular weight
    206.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    273°C

    Flash point

    • 123.91 ˚C est.

    Solubility expt.

    • Sparingly soluble in water; Soluble in pentane
    • Soluble (in ethanol)

  • Synonyms

    • FEMA no. 4320
    • 2-Methyl-3-(methylsulfanylmethyldisulfanyl)furan
    • UNII-X0X80JZ9JC
    • X0X80JZ9JC
    • 2-Methyl-3-furyl methylthiomethyl disulfide
    • 2-Methyl-3-furyl methyl thiomethyl disulfide
    • 2-Methyl-3-(((methylthio)methyl)dithio)furan
    • Furan, 2-methyl-3-(((methylthio)methyl)dithio)-
    • 333384-99-9
    • DTXSID90186963
    • 2-METHYL-3-FURYL METHYLTHIOMETHYL DISULFIDE [FHFI]
    • SCHEMBL18339558
    • DTXCID30109454
    • Q27293249

  • Applications

    2-Methyl-3-(methylsulfanylmethyldisulfanyl)furan, CAS 333384-99-9, may be used as a chemical intermediate and odor-active precursor in fragrance chemistry, potentially contributing to sulfur-containing aroma profiles. It is also evaluated as a fragrance ingredient in cosmetics and personal care formulations. In household and consumer cleaning products, it may serve as a fragrance component or odor modifier. In industrial manufacturing, it can function as a building block for sulfur-containing polymers and for specialty coatings or inks where disulfide functionality is advantageous. The presence of thioether and disulfide groups suggests potential use in reactive formulations and crosslinking contexts, subject to regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 552.07
    methanol 553.76
    isopropanol 403.75
    water 0.95
    ethyl acetate 1060.99
    n-propanol 465.71
    acetone 2014.18
    n-butanol 438.93
    acetonitrile 972.9
    DMF 2557.76
    toluene 1444.6
    isobutanol 376.18
    1,4-dioxane 3561.74
    methyl acetate 1239.16
    THF 2673.61
    2-butanone 1238.65
    n-pentanol 355.34
    sec-butanol 404.03
    n-hexane 85.16
    ethylene glycol 274.08
    NMP 2241.05
    cyclohexane 444.35
    DMSO 3076.79
    n-butyl acetate 596.04
    n-octanol 253.48
    chloroform 3726.71
    n-propyl acetate 563.1
    acetic acid 810.84
    dichloromethane 3057.42
    cyclohexanone 2284.05
    propylene glycol 300.77
    isopropyl acetate 588.97
    DMAc 2020.55
    2-ethoxyethanol 904.41
    isopentanol 392.69
    n-heptane 84.19
    ethyl formate 643.6
    1,2-dichloroethane 2030.95
    n-hexanol 370.91
    2-methoxyethanol 1503.62
    isobutyl acetate 393.96
    tetrachloromethane 717.44
    n-pentyl acetate 441.29
    transcutol 2912.62
    n-heptanol 202.03
    ethylbenzene 421.04
    MIBK 549.59
    2-propoxyethanol 805.27
    tert-butanol 575.53
    MTBE 791.13
    2-butoxyethanol 449.47
    propionic acid 546.05
    o-xylene 624.07
    formic acid 279.16
    diethyl ether 962.36
    m-xylene 628.95
    p-xylene 489.47
    chlorobenzene 1453.91
    dimethyl carbonate 591.45
    n-octane 39.33
    formamide 547.72
    cyclopentanone 2247.6
    2-pentanone 917.57
    anisole 1070.3
    cyclopentyl methyl ether 1445.41
    gamma-butyrolactone 2024.92
    1-methoxy-2-propanol 941.67
    pyridine 2844.86
    3-pentanone 896.91
    furfural 2368.32
    n-dodecane 36.69
    diethylene glycol 830.7
    diisopropyl ether 287.8
    tert-amyl alcohol 501.79
    acetylacetone 1508.76
    n-hexadecane 44.77
    acetophenone 878.85
    methyl propionate 940.89
    isopentyl acetate 554.83
    trichloroethylene 4275.74
    n-nonanol 226.46
    cyclohexanol 859.7
    benzyl alcohol 722.63
    2-ethylhexanol 279.35
    isooctanol 181.26
    dipropyl ether 392.12
    1,2-dichlorobenzene 1197.83
    ethyl lactate 284.61
    propylene carbonate 995.82
    n-methylformamide 877.6
    2-pentanol 301.96
    n-pentane 91.97
    1-propoxy-2-propanol 553.81
    1-methoxy-2-propyl acetate 802.95
    2-(2-methoxypropoxy) propanol 567.8
    mesitylene 383.96
    ε-caprolactone 1488.22
    p-cymene 238.64
    epichlorohydrin 2468.67
    1,1,1-trichloroethane 1943.61
    2-aminoethanol 365.67
    morpholine-4-carbaldehyde 2792.49
    sulfolane 2413.46
    2,2,4-trimethylpentane 67.77
    2-methyltetrahydrofuran 1862.48
    n-hexyl acetate 600.61
    isooctane 50.04
    2-(2-butoxyethoxy)ethanol 823.74
    sec-butyl acetate 417.18
    tert-butyl acetate 681.83
    decalin 146.21
    glycerin 515.22
    diglyme 1660.5
    acrylic acid 611.56
    isopropyl myristate 245.36
    n-butyric acid 671.67
    acetyl acetate 825.3
    di(2-ethylhexyl) phthalate 258.7
    ethyl propionate 497.13
    nitromethane 2048.73
    1,2-diethoxyethane 1016.53
    benzonitrile 1032.45
    trioctyl phosphate 164.77
    1-bromopropane 892.19
    gamma-valerolactone 3024.57
    n-decanol 173.61
    triethyl phosphate 255.7
    4-methyl-2-pentanol 209.02
    propionitrile 643.37
    vinylene carbonate 1158.15
    1,1,2-trichlorotrifluoroethane 1945.6
    DMS 745.26
    cumene 235.54
    2-octanol 173.49
    2-hexanone 599.7
    octyl acetate 299.33
    limonene 376.97
    1,2-dimethoxyethane 1600.92
    ethyl orthosilicate 257.46
    tributyl phosphate 217.0
    diacetone alcohol 688.89
    N,N-dimethylaniline 632.38
    acrylonitrile 921.8
    aniline 1243.64
    1,3-propanediol 530.19
    bromobenzene 1729.5
    dibromomethane 1964.22
    1,1,2,2-tetrachloroethane 3129.74
    2-methyl-cyclohexyl acetate 453.01
    tetrabutyl urea 305.03
    diisobutyl methanol 184.4
    2-phenylethanol 582.57
    styrene 663.98
    dioctyl adipate 363.94
    dimethyl sulfate 1008.88
    ethyl butyrate 418.96
    methyl lactate 471.63
    butyl lactate 341.74
    diethyl carbonate 322.8
    propanediol butyl ether 532.95
    triethyl orthoformate 345.87
    p-tert-butyltoluene 243.66
    methyl 4-tert-butylbenzoate 536.84
    morpholine 3007.03
    tert-butylamine 369.78
    n-dodecanol 141.24
    dimethoxymethane 1422.08
    ethylene carbonate 942.38
    cyrene 702.14
    2-ethoxyethyl acetate 854.46
    2-ethylhexyl acetate 499.4
    1,2,4-trichlorobenzene 1491.15
    4-methylpyridine 2273.33
    dibutyl ether 396.53
    2,6-dimethyl-4-heptanol 184.4
    DEF 1102.37
    dimethyl isosorbide 970.97
    tetrachloroethylene 2061.29
    eugenol 565.45
    triacetin 720.71
    span 80 534.49
    1,4-butanediol 269.59
    1,1-dichloroethane 1688.47
    2-methyl-1-pentanol 356.14
    methyl formate 842.78
    2-methyl-1-butanol 391.9
    n-decane 57.57
    butyronitrile 630.37
    3,7-dimethyl-1-octanol 256.79
    1-chlorooctane 242.08
    1-chlorotetradecane 115.71
    n-nonane 56.33
    undecane 44.13
    tert-butylcyclohexane 104.28
    cyclooctane 137.12
    cyclopentanol 758.95
    tetrahydropyran 2515.83
    tert-amyl methyl ether 620.36
    2,5,8-trioxanonane 1102.82
    1-hexene 250.65
    2-isopropoxyethanol 597.86
    2,2,2-trifluoroethanol 377.29
    methyl butyrate 624.25

    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