2-Methyl-3-furyl 2-methyl-3-tetrahydrofuryl disulfide

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  • Identifiers

    CAS number
    252736-40-6

    Molecular formula
    C10H14O2S2

    SMILES
    CC1C(CCO1)SSC2=C(OC=C2)C

  • Odor profile

    Fragrance
    Meaty 85.46%
    Roasted 70.52%
    Sulfurous 66.87%
    Savory 49.19%
    Beefy 47.59%
    Cooked 42.12%
    Onion 40.39%
    Coffee 35.23%
    Sweet 30.29%
    Burnt 28.08%

     

    Flavor
    Roasted 64.17%
    Meaty 58.46%
    Sulfury 52.63%
    Onion 50.5%
    Sulfurous 47.49%
    Coffee 38.49%
    Chicken 36.85%
    Cooked 32.3%
    Alliaceous 31.23%
    Cabbage 30.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    4.78 (weak acid)

    Molecular weight
    230.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    316°C

    Flash point

    • 128.75 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • FEMA No. 4545
    • UNII-VEK6C609A0
    • VEK6C609A0
    • 2-Methyl-3-furyl 2-methyl-3-tetrahydrofuryl disulfide
    • 252736-40-6
    • Furan, tetrahydro-2-methyl-3-((2-methyl-3-furanyl)dithio)-
    • (+-)-2-Methyl-3-furyl 2-methyl-3-tetrahydrofuryl disulfide
    • 2-Methyl-3-furyl 2-methyl-3-tetrahydrofuryl disulfide, (+-)-
    • (+/-)-2-METHYL-3-FURYL 2-METHYL-3-TETRAHYDROFURYL DISULFIDE
    • 2-METHYL-3-FURYL 2-METHYL-3-TETRAHYDROFURYL DISULFIDE, (+/-)-
    • SCHEMBL18338944
    • Q27291786

  • Applications

    2-Methyl-3-furyl 2-methyl-3-tetrahydrofuryl disulfide (CAS 252736-40-6) is primarily evaluated as an odorant and fragrance material and may act as a fragrance ingredient or fixative in perfumery and cosmetics; it is also considered as an intermediate in the synthesis of sulfur-containing aroma compounds and may be used in household products as a scent component; in coatings and inks as well as in specialty polymer formulations, it can serve as a sulfur-containing modifier; and more broadly in industrial manufacturing, it is viewed as a building block for specialty chemicals and fragrance-related derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.56
    methanol 195.84
    isopropanol 151.67
    water 0.95
    ethyl acetate 643.55
    n-propanol 179.28
    acetone 1083.24
    n-butanol 157.06
    acetonitrile 613.85
    DMF 1325.82
    toluene 502.28
    isobutanol 140.11
    1,4-dioxane 2295.98
    methyl acetate 770.04
    THF 1477.51
    2-butanone 761.97
    n-pentanol 121.53
    sec-butanol 145.12
    n-hexane 5.86
    ethylene glycol 133.78
    NMP 1062.17
    cyclohexane 62.85
    DMSO 1652.01
    n-butyl acetate 318.86
    n-octanol 79.38
    chloroform 2466.73
    n-propyl acetate 320.34
    acetic acid 438.28
    dichloromethane 2159.71
    cyclohexanone 1191.83
    propylene glycol 167.24
    isopropyl acetate 367.97
    DMAc 1418.36
    2-ethoxyethanol 584.55
    isopentanol 147.05
    n-heptane 9.72
    ethyl formate 415.7
    1,2-dichloroethane 1196.04
    n-hexanol 111.8
    2-methoxyethanol 858.73
    isobutyl acetate 218.81
    tetrachloromethane 268.65
    n-pentyl acetate 202.36
    transcutol 2159.37
    n-heptanol 65.4
    ethylbenzene 148.19
    MIBK 272.81
    2-propoxyethanol 408.28
    tert-butanol 226.97
    MTBE 301.65
    2-butoxyethanol 227.63
    propionic acid 299.44
    o-xylene 253.67
    formic acid 170.05
    diethyl ether 338.68
    m-xylene 231.21
    p-xylene 216.08
    chlorobenzene 810.66
    dimethyl carbonate 376.87
    n-octane 4.94
    formamide 441.59
    cyclopentanone 1225.9
    2-pentanone 468.02
    anisole 624.46
    cyclopentyl methyl ether 566.06
    gamma-butyrolactone 1271.05
    1-methoxy-2-propanol 538.95
    pyridine 1547.68
    3-pentanone 470.71
    furfural 1713.8
    n-dodecane 6.98
    diethylene glycol 488.03
    diisopropyl ether 89.91
    tert-amyl alcohol 190.72
    acetylacetone 982.08
    n-hexadecane 8.72
    acetophenone 562.64
    methyl propionate 541.07
    isopentyl acetate 307.61
    trichloroethylene 2837.66
    n-nonanol 79.06
    cyclohexanol 318.74
    benzyl alcohol 426.81
    2-ethylhexanol 96.97
    isooctanol 64.08
    dipropyl ether 124.75
    1,2-dichlorobenzene 716.48
    ethyl lactate 189.09
    propylene carbonate 690.67
    n-methylformamide 536.55
    2-pentanol 97.41
    n-pentane 9.27
    1-propoxy-2-propanol 292.95
    1-methoxy-2-propyl acetate 549.03
    2-(2-methoxypropoxy) propanol 388.86
    mesitylene 133.82
    ε-caprolactone 878.63
    p-cymene 98.59
    epichlorohydrin 1713.52
    1,1,1-trichloroethane 1146.58
    2-aminoethanol 180.74
    morpholine-4-carbaldehyde 1881.18
    sulfolane 1389.99
    2,2,4-trimethylpentane 12.21
    2-methyltetrahydrofuran 875.4
    n-hexyl acetate 261.76
    isooctane 7.86
    2-(2-butoxyethoxy)ethanol 527.54
    sec-butyl acetate 239.44
    tert-butyl acetate 391.96
    decalin 27.78
    glycerin 329.68
    diglyme 1133.51
    acrylic acid 359.84
    isopropyl myristate 119.39
    n-butyric acid 356.35
    acetyl acetate 592.73
    di(2-ethylhexyl) phthalate 146.99
    ethyl propionate 280.7
    nitromethane 1573.81
    1,2-diethoxyethane 598.17
    benzonitrile 645.9
    trioctyl phosphate 83.15
    1-bromopropane 327.48
    gamma-valerolactone 2179.25
    n-decanol 62.19
    triethyl phosphate 164.26
    4-methyl-2-pentanol 73.86
    propionitrile 381.97
    vinylene carbonate 820.36
    1,1,2-trichlorotrifluoroethane 1313.65
    DMS 451.64
    cumene 92.49
    2-octanol 50.37
    2-hexanone 285.14
    octyl acetate 147.17
    limonene 143.26
    1,2-dimethoxyethane 1001.62
    ethyl orthosilicate 147.18
    tributyl phosphate 122.34
    diacetone alcohol 400.55
    N,N-dimethylaniline 299.22
    acrylonitrile 606.79
    aniline 647.19
    1,3-propanediol 274.93
    bromobenzene 893.63
    dibromomethane 1042.39
    1,1,2,2-tetrachloroethane 2036.47
    2-methyl-cyclohexyl acetate 253.59
    tetrabutyl urea 167.35
    diisobutyl methanol 67.65
    2-phenylethanol 304.88
    styrene 255.39
    dioctyl adipate 209.09
    dimethyl sulfate 647.72
    ethyl butyrate 245.39
    methyl lactate 308.66
    butyl lactate 183.95
    diethyl carbonate 207.06
    propanediol butyl ether 266.02
    triethyl orthoformate 213.05
    p-tert-butyltoluene 97.38
    methyl 4-tert-butylbenzoate 312.67
    morpholine 1821.3
    tert-butylamine 115.9
    n-dodecanol 51.2
    dimethoxymethane 905.94
    ethylene carbonate 675.99
    cyrene 465.07
    2-ethoxyethyl acetate 486.73
    2-ethylhexyl acetate 256.05
    1,2,4-trichlorobenzene 1001.94
    4-methylpyridine 1259.0
    dibutyl ether 141.86
    2,6-dimethyl-4-heptanol 67.65
    DEF 623.62
    dimethyl isosorbide 657.54
    tetrachloroethylene 1050.65
    eugenol 313.27
    triacetin 489.68
    span 80 272.59
    1,4-butanediol 135.02
    1,1-dichloroethane 997.19
    2-methyl-1-pentanol 131.04
    methyl formate 542.71
    2-methyl-1-butanol 141.44
    n-decane 10.32
    butyronitrile 312.18
    3,7-dimethyl-1-octanol 103.01
    1-chlorooctane 67.53
    1-chlorotetradecane 32.73
    n-nonane 8.17
    undecane 8.24
    tert-butylcyclohexane 18.29
    cyclooctane 18.1
    cyclopentanol 308.17
    tetrahydropyran 1062.94
    tert-amyl methyl ether 232.28
    2,5,8-trioxanonane 799.3
    1-hexene 36.28
    2-isopropoxyethanol 349.26
    2,2,2-trifluoroethanol 269.17
    methyl butyrate 349.49

    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