Bis(2-methyl-3-furyl)disulfide

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  • Identifiers

    CAS number
    28588-75-2

    Molecular formula
    C10H10O2S2

    SMILES
    CC1=C(C=CO1)SSC2=C(OC=C2)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 88.34%
    Sulfurous 78.09%
    Roasted 76.44%
    Savory 53.55%
    Beefy 53.43%
    Coffee 47.74%
    Cooked 45.0%
    Onion 43.82%
    Burnt 39.48%
    Smoky 32.05%

     

    Flavor
    Roasted 73.13%
    Sulfury 71.76%
    Meaty 70.54%
    Coffee 64.26%
    Onion 62.05%
    Burnt 42.04%
    Roast 40.58%
    Cooked 39.21%
    Sulfurous 35.71%
    Fishy 34.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    4.48 (weak acid)

    Molecular weight
    226.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 277.00 to 280.00 °C. @ 760.00 mm Hg

    Flash point

    • 130.91 ˚C est.

    Solubility expt.

    • Insoluble in water,soluble in organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Bis(2-methyl-3-furyl)disulfide
    • 28588-75-2
    • bis(2-Methyl-3-furyl) disulfide
    • 1,2-bis(2-methylfuran-3-yl)disulfane
    • 2-Methyl-3-furyl disulfide
    • 3,3'-Dithiobis(2-methylfuran)
    • Furan, 3,3'-dithiobis[2-methyl-
    • 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
    • FEMA No. 3259
    • 3,3'-Dithiobis[2-methylfuran]
    • Bis(2-methyl-3-furyl)disulphide
    • 3,3'-Dithio-2,2'-dimethyldifuran
    • Furan, 3,3'-dithiobis(2-methyl-
    • EINECS 249-095-2
    • E1AN38V6MA
    • DTXSID9047673
    • bis(2-methyl-3-furanyl) disulfide
    • DTXCID7027673
    • FEMA 3259
    • CHEBI:172109
    • bis(2-methyl-3-furyl) disulphide
    • BIS(2-METHYL-3-FURYL) DISULFIDE [FHFI]
    • 3,3'-Dithiobis(2-methyl-Furan
    • 3,3'-Dithiobis[2-methyl-Furan
    • Furan, dithiobis[2-methyl-
    • UNII-E1AN38V6MA
    • 2-METHYL-3-FURYL DISULPHIDE
    • MFCD01074774
    • Bis(2-methylfuryl) disulfide
    • SCHEMBL442730
    • CHEMBL3185064
    • Bis(2-methyl-3-furyI)-disulfide
    • 3,3"-Dithio-bis(2-methylfuran)
    • bis-(2-Methylfuryl-3-) disulfide
    • Bis-(2-methyl-3-furyl)-disulphide
    • Tox21_302589
    • 3,3"-Dithio-2,2"-dimethyldifuran
    • bis-[(2-Methylfuryl-3)] disulfide
    • s6314
    • 3,3'-disulfanediylbis(2-methylfuran)
    • AKOS015842454
    • CS-W010424
    • HY-W009708
    • SB60953
    • NCGC00256859-01
    • AS-14656
    • CAS-28588-75-2
    • DB-003603
    • B3360
    • NS00021988
    • Bis(2-Methyl-3-furyl) disulfide, 98%, FG
    • D89009
    • 2-methyl-3-[(2-methyluran-3-yl)disulanyl]uran
    • A819497
    • 2-methyl-3-[(2-methyl-3-furanyl)disulfanyl]furan
    • Q15726067

  • Applications

    Bis(2-methyl-3-furyl)disulfide, CAS 28588-75-2, is used primarily as an odorant and fragrance component in perfumery and cosmetics, with the potential to function as a fixative or fragrance carrier in complex formulations; it is also evaluated as a flavor/aroma ingredient in food processing under applicable regulatory constraints; as an organic intermediate, it serves as a building block for sulfur-containing furans and related compounds in industrial manufacturing; in polymer and materials science, it can be employed as a sulfur-containing building block or as a crosslinking/disulfide-exchange component for certain polymer systems; and in household cleaning products it may be used as a fragrance additive to impart aroma while complying with formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.02
    methanol 29.09
    isopropanol 24.26
    water 0.13
    ethyl acetate 180.96
    n-propanol 26.87
    acetone 312.03
    n-butanol 24.49
    acetonitrile 156.69
    DMF 734.74
    toluene 150.33
    isobutanol 23.87
    1,4-dioxane 708.32
    methyl acetate 272.72
    THF 582.66
    2-butanone 253.5
    n-pentanol 22.15
    sec-butanol 31.99
    n-hexane 4.94
    ethylene glycol 17.97
    NMP 821.95
    cyclohexane 28.03
    DMSO 654.35
    n-butyl acetate 95.72
    n-octanol 16.6
    chloroform 709.79
    n-propyl acetate 96.53
    acetic acid 83.75
    dichloromethane 713.76
    cyclohexanone 396.07
    propylene glycol 22.36
    isopropyl acetate 108.79
    DMAc 928.97
    2-ethoxyethanol 118.93
    isopentanol 27.49
    n-heptane 5.77
    ethyl formate 109.2
    1,2-dichloroethane 371.12
    n-hexanol 23.48
    2-methoxyethanol 183.12
    isobutyl acetate 63.88
    tetrachloromethane 73.35
    n-pentyl acetate 53.4
    transcutol 431.92
    n-heptanol 13.97
    ethylbenzene 67.19
    MIBK 78.0
    2-propoxyethanol 101.54
    tert-butanol 46.68
    MTBE 110.62
    2-butoxyethanol 52.07
    propionic acid 64.38
    o-xylene 102.27
    formic acid 34.92
    diethyl ether 106.18
    m-xylene 69.65
    p-xylene 94.22
    chlorobenzene 255.76
    dimethyl carbonate 169.63
    n-octane 2.51
    formamide 141.19
    cyclopentanone 541.71
    2-pentanone 140.37
    anisole 286.56
    cyclopentyl methyl ether 208.64
    gamma-butyrolactone 555.03
    1-methoxy-2-propanol 123.37
    pyridine 500.17
    3-pentanone 181.66
    furfural 664.39
    n-dodecane 2.81
    diethylene glycol 93.31
    diisopropyl ether 35.7
    tert-amyl alcohol 52.65
    acetylacetone 330.13
    n-hexadecane 3.5
    acetophenone 249.27
    methyl propionate 194.85
    isopentyl acetate 98.1
    trichloroethylene 997.14
    n-nonanol 18.3
    cyclohexanol 63.99
    benzyl alcohol 117.19
    2-ethylhexanol 25.6
    isooctanol 14.66
    dipropyl ether 55.72
    1,2-dichlorobenzene 265.54
    ethyl lactate 55.17
    propylene carbonate 244.38
    n-methylformamide 189.71
    2-pentanol 21.14
    n-pentane 4.8
    1-propoxy-2-propanol 77.97
    1-methoxy-2-propyl acetate 196.07
    2-(2-methoxypropoxy) propanol 126.46
    mesitylene 44.05
    ε-caprolactone 299.32
    p-cymene 38.1
    epichlorohydrin 689.05
    1,1,1-trichloroethane 361.91
    2-aminoethanol 27.51
    morpholine-4-carbaldehyde 869.59
    sulfolane 789.43
    2,2,4-trimethylpentane 6.06
    2-methyltetrahydrofuran 332.51
    n-hexyl acetate 70.22
    isooctane 3.02
    2-(2-butoxyethoxy)ethanol 121.5
    sec-butyl acetate 80.25
    tert-butyl acetate 137.26
    decalin 15.43
    glycerin 55.49
    diglyme 346.15
    acrylic acid 84.66
    isopropyl myristate 40.28
    n-butyric acid 66.14
    acetyl acetate 185.36
    di(2-ethylhexyl) phthalate 50.1
    ethyl propionate 107.24
    nitromethane 522.99
    1,2-diethoxyethane 178.22
    benzonitrile 181.5
    trioctyl phosphate 24.59
    1-bromopropane 108.62
    gamma-valerolactone 824.95
    n-decanol 14.95
    triethyl phosphate 85.66
    4-methyl-2-pentanol 16.56
    propionitrile 94.72
    vinylene carbonate 274.31
    1,1,2-trichlorotrifluoroethane 478.08
    DMS 183.63
    cumene 38.1
    2-octanol 11.8
    2-hexanone 97.78
    octyl acetate 46.3
    limonene 57.13
    1,2-dimethoxyethane 342.18
    ethyl orthosilicate 74.39
    tributyl phosphate 41.36
    diacetone alcohol 118.21
    N,N-dimethylaniline 156.43
    acrylonitrile 162.4
    aniline 165.16
    1,3-propanediol 41.58
    bromobenzene 299.88
    dibromomethane 327.45
    1,1,2,2-tetrachloroethane 711.26
    2-methyl-cyclohexyl acetate 107.33
    tetrabutyl urea 62.39
    diisobutyl methanol 20.85
    2-phenylethanol 85.06
    styrene 105.7
    dioctyl adipate 79.99
    dimethyl sulfate 402.88
    ethyl butyrate 98.95
    methyl lactate 97.96
    butyl lactate 45.97
    diethyl carbonate 93.29
    propanediol butyl ether 47.47
    triethyl orthoformate 97.16
    p-tert-butyltoluene 38.54
    methyl 4-tert-butylbenzoate 125.23
    morpholine 534.49
    tert-butylamine 28.75
    n-dodecanol 12.92
    dimethoxymethane 318.34
    ethylene carbonate 200.93
    cyrene 204.21
    2-ethoxyethyl acetate 133.07
    2-ethylhexyl acetate 92.78
    1,2,4-trichlorobenzene 385.37
    4-methylpyridine 382.2
    dibutyl ether 46.39
    2,6-dimethyl-4-heptanol 20.85
    DEF 258.74
    dimethyl isosorbide 290.96
    tetrachloroethylene 346.54
    eugenol 111.31
    triacetin 172.38
    span 80 74.4
    1,4-butanediol 20.1
    1,1-dichloroethane 276.19
    2-methyl-1-pentanol 28.5
    methyl formate 183.36
    2-methyl-1-butanol 28.48
    n-decane 4.1
    butyronitrile 68.98
    3,7-dimethyl-1-octanol 25.46
    1-chlorooctane 21.14
    1-chlorotetradecane 11.95
    n-nonane 3.38
    undecane 3.27
    tert-butylcyclohexane 10.38
    cyclooctane 9.05
    cyclopentanol 80.07
    tetrahydropyran 302.12
    tert-amyl methyl ether 100.83
    2,5,8-trioxanonane 268.8
    1-hexene 18.29
    2-isopropoxyethanol 78.92
    2,2,2-trifluoroethanol 73.23
    methyl butyrate 125.93

    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