Methyl 5-methylfurfuryl disulfide

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  • Identifiers

    CAS number
    78818-78-7

    Molecular formula
    C7H10OS2

    SMILES
    CC1=CC=C(O1)CSSC

  • Odor profile

    Fragrance
    Sulfurous 83.59%
    Roasted 72.82%
    Onion 65.59%
    Meaty 63.99%
    Coffee 59.64%
    Alliaceous 57.39%
    Garlic 56.19%
    Savory 52.72%
    Cooked 42.65%
    Burnt 41.25%

     

    Flavor
    Sulfury 70.91%
    Roasted 67.31%
    Meaty 65.91%
    Onion 65.42%
    Coffee 57.76%
    Sulfurous 48.98%
    Garlic 47.44%
    Burnt 42.69%
    Cabbage 40.19%
    Cooked 36.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.27 (neutral)

    Molecular weight
    174.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 93.93 ˚C est.

  • Synonyms

    • 78818-78-7
    • Methyl 5-methylfurfuryl disulfide
    • Furan, 2-methyl-5-(methyldithio)methyl-
    • Furan, 2-methyl-5-[(methyldithio)methyl]-
    • 5-methylfurfuryl methyl disulfide
    • DTXSID901020137
    • Methyl 5-methyl furfuryl disulfide
    • Furan, 2-methyl-5-((methyldithio)methyl)-
    • Q923BU6PAE
    • SCHEMBL5023063
    • DTXCID801477979
    • AKOS006303598
    • 2-Methyl-5-[(methyldithio)methyl]furan
    • 2-Methyl-5-(methyldithio)methylfuran,Methyl 5-methylfurfuryl disulfide,2,3-Dimethyl-5-(2-methyldisulfanyl)furan
    • 2-Methyl-5-((methyldisulfanyl)methyl)furan
    • NS00123900

  • Applications

    Methyl 5-methylfurfuryl disulfide, CAS 78818-78-7, is used as a fragrance ingredient in perfumery and cosmetics, contributing warm, roasted notes and serving as a fragrance component with modest fixative characteristics in formulations. It is commonly employed as an intermediate in fragrance synthesis, enabling the introduction of sulfur-containing furfuryl motifs into scent ingredients. In household and personal-care products, it can be used as a fragrance additive to impart gourmand aromas and help mask unwanted odors, within regulatory limits. It may also be evaluated for industrial applications in polymers/plastics or coatings as a specialty odorant or aroma modifier, depending on formulation compatibility and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1207.83
    methanol 1227.99
    isopropanol 862.74
    water 10.86
    ethyl acetate 1267.0
    n-propanol 915.53
    acetone 1420.65
    n-butanol 778.67
    acetonitrile 1294.49
    DMF 1687.12
    toluene 1744.46
    isobutanol 669.84
    1,4-dioxane 4616.23
    methyl acetate 1387.04
    THF 2506.55
    2-butanone 1257.6
    n-pentanol 620.45
    sec-butanol 812.87
    n-hexane 183.48
    ethylene glycol 516.51
    NMP 1106.88
    cyclohexane 770.26
    DMSO 1451.15
    n-butyl acetate 506.51
    n-octanol 435.28
    chloroform 4764.11
    n-propyl acetate 562.24
    acetic acid 973.74
    dichloromethane 3147.33
    cyclohexanone 1810.84
    propylene glycol 630.33
    isopropyl acetate 610.04
    DMAc 1639.89
    2-ethoxyethanol 1340.35
    isopentanol 563.06
    n-heptane 155.3
    ethyl formate 687.58
    1,2-dichloroethane 1723.32
    n-hexanol 608.52
    2-methoxyethanol 1956.61
    isobutyl acetate 368.41
    tetrachloromethane 789.68
    n-pentyl acetate 403.95
    transcutol 3138.06
    n-heptanol 326.68
    ethylbenzene 502.7
    MIBK 445.53
    2-propoxyethanol 1209.41
    tert-butanol 880.67
    MTBE 937.75
    2-butoxyethanol 617.67
    propionic acid 758.85
    o-xylene 710.26
    formic acid 396.81
    diethyl ether 1318.86
    m-xylene 696.25
    p-xylene 612.34
    chlorobenzene 1350.98
    dimethyl carbonate 511.98
    n-octane 73.17
    formamide 608.2
    cyclopentanone 1410.87
    2-pentanone 800.98
    anisole 1088.19
    cyclopentyl methyl ether 1266.39
    gamma-butyrolactone 1386.96
    1-methoxy-2-propanol 1292.42
    pyridine 3020.56
    3-pentanone 845.05
    furfural 1644.74
    n-dodecane 64.77
    diethylene glycol 1136.42
    diisopropyl ether 348.79
    tert-amyl alcohol 709.52
    acetylacetone 1012.52
    n-hexadecane 74.94
    acetophenone 805.42
    methyl propionate 1025.15
    isopentyl acetate 426.15
    trichloroethylene 3265.31
    n-nonanol 382.09
    cyclohexanol 1165.98
    benzyl alcohol 859.78
    2-ethylhexanol 348.27
    isooctanol 251.47
    dipropyl ether 513.76
    1,2-dichlorobenzene 960.86
    ethyl lactate 313.4
    propylene carbonate 755.45
    n-methylformamide 817.84
    2-pentanol 525.4
    n-pentane 201.4
    1-propoxy-2-propanol 746.67
    1-methoxy-2-propyl acetate 666.76
    2-(2-methoxypropoxy) propanol 574.54
    mesitylene 384.2
    ε-caprolactone 1372.42
    p-cymene 216.11
    epichlorohydrin 1916.91
    1,1,1-trichloroethane 1874.25
    2-aminoethanol 765.09
    morpholine-4-carbaldehyde 2272.92
    sulfolane 1206.56
    2,2,4-trimethylpentane 92.77
    2-methyltetrahydrofuran 1954.07
    n-hexyl acetate 624.97
    isooctane 60.88
    2-(2-butoxyethoxy)ethanol 948.59
    sec-butyl acetate 393.36
    tert-butyl acetate 567.86
    decalin 176.17
    glycerin 854.93
    diglyme 1629.03
    acrylic acid 716.52
    isopropyl myristate 236.3
    n-butyric acid 827.09
    acetyl acetate 787.88
    di(2-ethylhexyl) phthalate 232.25
    ethyl propionate 493.9
    nitromethane 1523.95
    1,2-diethoxyethane 1046.85
    benzonitrile 1034.35
    trioctyl phosphate 156.11
    1-bromopropane 1024.68
    gamma-valerolactone 2335.38
    n-decanol 281.38
    triethyl phosphate 216.87
    4-methyl-2-pentanol 278.18
    propionitrile 888.65
    vinylene carbonate 951.69
    1,1,2-trichlorotrifluoroethane 1594.79
    DMS 629.26
    cumene 254.62
    2-octanol 259.65
    2-hexanone 585.81
    octyl acetate 308.12
    limonene 338.62
    1,2-dimethoxyethane 1956.16
    ethyl orthosilicate 229.1
    tributyl phosphate 190.3
    diacetone alcohol 589.63
    N,N-dimethylaniline 615.6
    acrylonitrile 1059.69
    aniline 1542.86
    1,3-propanediol 890.55
    bromobenzene 1472.46
    dibromomethane 2173.5
    1,1,2,2-tetrachloroethane 2765.19
    2-methyl-cyclohexyl acetate 350.17
    tetrabutyl urea 247.81
    diisobutyl methanol 202.79
    2-phenylethanol 645.76
    styrene 770.49
    dioctyl adipate 305.35
    dimethyl sulfate 625.45
    ethyl butyrate 390.11
    methyl lactate 487.85
    butyl lactate 313.55
    diethyl carbonate 298.49
    propanediol butyl ether 678.06
    triethyl orthoformate 333.47
    p-tert-butyltoluene 223.43
    methyl 4-tert-butylbenzoate 464.62
    morpholine 3980.48
    tert-butylamine 598.04
    n-dodecanol 221.08
    dimethoxymethane 1346.93
    ethylene carbonate 818.02
    cyrene 583.88
    2-ethoxyethyl acetate 771.78
    2-ethylhexyl acetate 378.64
    1,2,4-trichlorobenzene 1241.61
    4-methylpyridine 2275.97
    dibutyl ether 474.96
    2,6-dimethyl-4-heptanol 202.79
    DEF 1000.14
    dimethyl isosorbide 769.96
    tetrachloroethylene 1922.66
    eugenol 497.75
    triacetin 643.47
    span 80 566.59
    1,4-butanediol 460.91
    1,1-dichloroethane 1911.87
    2-methyl-1-pentanol 455.19
    methyl formate 686.06
    2-methyl-1-butanol 595.22
    n-decane 111.83
    butyronitrile 833.94
    3,7-dimethyl-1-octanol 347.3
    1-chlorooctane 338.59
    1-chlorotetradecane 144.24
    n-nonane 114.17
    undecane 81.4
    tert-butylcyclohexane 130.19
    cyclooctane 221.67
    cyclopentanol 973.97
    tetrahydropyran 3113.13
    tert-amyl methyl ether 722.19
    2,5,8-trioxanonane 1100.8
    1-hexene 452.54
    2-isopropoxyethanol 843.23
    2,2,2-trifluoroethanol 420.78
    methyl butyrate 597.72

    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