Propyl 2-methyl-3-furyl disulfide

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  • Identifiers

    CAS number
    61197-09-9

    Molecular formula
    C8H12OS2

    SMILES
    CCCSSC1=C(OC=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 77.49%
    Sulfurous 74.49%
    Roasted 74.27%
    Onion 57.29%
    Savory 53.01%
    Coffee 50.04%
    Cooked 44.37%
    Beefy 44.34%
    Alliaceous 41.69%
    Garlic 41.6%

     

    Flavor
    Onion 69.69%
    Sulfury 62.83%
    Meaty 56.59%
    Sulfurous 55.36%
    Garlic 53.41%
    Roasted 53.12%
    Green 42.44%
    Alliaceous 40.69%
    Cabbage 39.39%
    Coffee 37.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.16 (weak acid)

    Molecular weight
    188.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    244°C

    Flash point

    • 100.64 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in fat
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 61197-09-9
    • Propyl 2-methyl-3-furyl disulfide
    • 2-methyl-3-(propyldisulfanyl)furan
    • 2-Methyl-3-(propyldithio)furan
    • FEMA No. 3607
    • 2-Methyl-3-furyl propyl disulfide
    • Furan, 2-methyl-3-(propyldithio)-
    • UNII-L68JIN0W7Q
    • DISULFIDE, 2-METHYL-3-FURYL PROPYL
    • EINECS 262-650-3
    • L68JIN0W7Q
    • propyl 2-methyl-3-furyl disulphide
    • DTXSID30210094
    • Propyl-2-methyl-3-furyl disulfide
    • PROPYL 2-METHYL-3-FURYL DISULFIDE [FHFI]
    • C8H12OS2
    • MFCD01729816
    • SCHEMBL3505875
    • FEMA 3607
    • DTXCID30132585
    • 2-methyl-3-(propyldisulanyl)uran
    • 2-Methyl-3-(propyldithio)-Furan
    • CHEBI:179158
    • YFPPCUTVJGGSQC-UHFFFAOYSA-N
    • AKOS006343241
    • CS-W016780
    • DS-11429
    • DB-021324
    • M1840
    • NS00022494
    • F16594
    • Q27282761
    • Propyl 2-methyl-3-furyl disulphide; Propyl-(2-methyl-3-furyl)disulfide

  • Applications

    Propyl 2-methyl-3-furyl disulfide (CAS 61197-09-9) is primarily considered for fragrance and odorant applications, where it can act as a sulfur-containing aroma component and a potential fragrance fixative in perfumery and cosmetics. It may be evaluated as a flavor/fragrance ingredient in limited formulations, depending on regulatory limits. It also serves as an intermediate in organic synthesis for sulfur-containing furyl compounds used in specialty chemicals. In industrial manufacturing, it may be employed as a chemical intermediate or additive in formulations for coatings, inks, and household cleaning products to impart distinctive scent notes. The compound could also be explored as a specialty modifier in polymers/plastics, where disulfide linkages are relevant under controlled conditions. Use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1170.22
    methanol 1116.15
    isopropanol 829.6
    water 0.4
    ethyl acetate 2635.51
    n-propanol 990.7
    acetone 5366.14
    n-butanol 900.46
    acetonitrile 2516.38
    DMF 7290.98
    toluene 2684.39
    isobutanol 742.48
    1,4-dioxane 6732.25
    methyl acetate 2860.21
    THF 5800.81
    2-butanone 3184.19
    n-pentanol 547.64
    sec-butanol 780.7
    n-hexane 94.87
    ethylene glycol 375.93
    NMP 5198.97
    cyclohexane 569.15
    DMSO 6650.04
    n-butyl acetate 1393.19
    n-octanol 388.59
    chloroform 7281.75
    n-propyl acetate 1133.86
    acetic acid 1453.87
    dichloromethane 6792.89
    cyclohexanone 6000.07
    propylene glycol 496.14
    isopropyl acetate 1305.52
    DMAc 4291.29
    2-ethoxyethanol 1248.12
    isopentanol 735.05
    n-heptane 105.49
    ethyl formate 1469.44
    1,2-dichloroethane 4534.32
    n-hexanol 615.29
    2-methoxyethanol 2572.4
    isobutyl acetate 731.42
    tetrachloromethane 1112.94
    n-pentyl acetate 829.02
    transcutol 4330.22
    n-heptanol 290.0
    ethylbenzene 720.44
    MIBK 1080.62
    2-propoxyethanol 1330.79
    tert-butanol 1105.44
    MTBE 1629.73
    2-butoxyethanol 639.8
    propionic acid 1113.21
    o-xylene 1096.21
    formic acid 364.97
    diethyl ether 1947.68
    m-xylene 1128.44
    p-xylene 882.28
    chlorobenzene 3186.86
    dimethyl carbonate 1184.92
    n-octane 49.09
    formamide 904.38
    cyclopentanone 5653.32
    2-pentanone 2244.21
    anisole 1832.54
    cyclopentyl methyl ether 2592.7
    gamma-butyrolactone 4730.67
    1-methoxy-2-propanol 1568.98
    pyridine 6059.38
    3-pentanone 1998.46
    furfural 5023.58
    n-dodecane 50.19
    diethylene glycol 1179.06
    diisopropyl ether 459.23
    tert-amyl alcohol 893.32
    acetylacetone 3453.37
    n-hexadecane 61.74
    acetophenone 1543.94
    methyl propionate 2089.04
    isopentyl acetate 1158.91
    trichloroethylene 9635.39
    n-nonanol 345.15
    cyclohexanol 1627.29
    benzyl alcohol 1274.37
    2-ethylhexanol 434.85
    isooctanol 255.34
    dipropyl ether 638.26
    1,2-dichlorobenzene 2339.52
    ethyl lactate 448.49
    propylene carbonate 2322.26
    n-methylformamide 2281.51
    2-pentanol 568.33
    n-pentane 110.84
    1-propoxy-2-propanol 925.45
    1-methoxy-2-propyl acetate 1571.75
    2-(2-methoxypropoxy) propanol 854.35
    mesitylene 623.07
    ε-caprolactone 3494.89
    p-cymene 372.68
    epichlorohydrin 5566.25
    1,1,1-trichloroethane 4418.47
    2-aminoethanol 600.26
    morpholine-4-carbaldehyde 5605.15
    sulfolane 5668.93
    2,2,4-trimethylpentane 81.92
    2-methyltetrahydrofuran 3872.64
    n-hexyl acetate 1182.2
    isooctane 67.01
    2-(2-butoxyethoxy)ethanol 1225.51
    sec-butyl acetate 748.42
    tert-butyl acetate 1484.6
    decalin 184.65
    glycerin 762.76
    diglyme 2581.88
    acrylic acid 1123.34
    isopropyl myristate 446.01
    n-butyric acid 1476.5
    acetyl acetate 1731.59
    di(2-ethylhexyl) phthalate 454.05
    ethyl propionate 966.22
    nitromethane 4787.76
    1,2-diethoxyethane 1830.95
    benzonitrile 2244.47
    trioctyl phosphate 282.89
    1-bromopropane 1720.8
    gamma-valerolactone 7174.44
    n-decanol 262.81
    triethyl phosphate 423.27
    4-methyl-2-pentanol 311.76
    propionitrile 1628.42
    vinylene carbonate 2611.1
    1,1,2-trichlorotrifluoroethane 3125.04
    DMS 1377.64
    cumene 363.01
    2-octanol 260.38
    2-hexanone 1173.72
    octyl acetate 551.38
    limonene 640.28
    1,2-dimethoxyethane 2836.27
    ethyl orthosilicate 407.34
    tributyl phosphate 402.73
    diacetone alcohol 1299.58
    N,N-dimethylaniline 958.09
    acrylonitrile 2355.22
    aniline 2316.66
    1,3-propanediol 888.26
    bromobenzene 3770.83
    dibromomethane 3999.71
    1,1,2,2-tetrachloroethane 6343.92
    2-methyl-cyclohexyl acetate 788.31
    tetrabutyl urea 578.18
    diisobutyl methanol 279.65
    2-phenylethanol 996.76
    styrene 1236.83
    dioctyl adipate 666.71
    dimethyl sulfate 1945.81
    ethyl butyrate 845.67
    methyl lactate 788.68
    butyl lactate 600.19
    diethyl carbonate 611.73
    propanediol butyl ether 768.59
    triethyl orthoformate 612.2
    p-tert-butyltoluene 381.53
    methyl 4-tert-butylbenzoate 919.39
    morpholine 6095.27
    tert-butylamine 646.63
    n-dodecanol 212.89
    dimethoxymethane 3030.26
    ethylene carbonate 2165.19
    cyrene 1028.41
    2-ethoxyethyl acetate 1576.79
    2-ethylhexyl acetate 979.46
    1,2,4-trichlorobenzene 2777.33
    4-methylpyridine 5688.58
    dibutyl ether 689.55
    2,6-dimethyl-4-heptanol 279.65
    DEF 2804.81
    dimethyl isosorbide 1734.15
    tetrachloroethylene 3855.69
    eugenol 888.32
    triacetin 1290.93
    span 80 823.39
    1,4-butanediol 364.17
    1,1-dichloroethane 4025.13
    2-methyl-1-pentanol 527.81
    methyl formate 2155.84
    2-methyl-1-butanol 730.41
    n-decane 77.64
    butyronitrile 1576.26
    3,7-dimethyl-1-octanol 410.57
    1-chlorooctane 391.57
    1-chlorotetradecane 170.24
    n-nonane 75.01
    undecane 60.33
    tert-butylcyclohexane 139.83
    cyclooctane 157.0
    cyclopentanol 1358.21
    tetrahydropyran 5131.62
    tert-amyl methyl ether 1103.97
    2,5,8-trioxanonane 1714.14
    1-hexene 389.02
    2-isopropoxyethanol 815.13
    2,2,2-trifluoroethanol 527.98
    methyl butyrate 1348.33

    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