Propyl furfuryl disulfide

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  • Identifiers

    CAS number
    252736-36-0

    Molecular formula
    C8H12OS2

    SMILES
    CCCSSCC1=CC=CO1

  • Odor profile

    Fragrance
    Sulfurous 82.65%
    Roasted 70.9%
    Onion 69.76%
    Alliaceous 65.46%
    Meaty 62.79%
    Garlic 62.16%
    Coffee 58.41%
    Savory 56.96%
    Cooked 46.77%
    Vegetable 42.84%

     

    Flavor
    Onion 68.94%
    Sulfury 63.59%
    Sulfurous 55.13%
    Garlic 54.76%
    Meaty 52.41%
    Green 51.75%
    Roasted 50.41%
    Alliaceous 41.45%
    Metallic 41.12%
    Cabbage 40.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.06 (weak acid)

    Molecular weight
    188.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 103.99 ˚C est.

    Solubility expt.

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

  • Synonyms

    • furfuryl propyl disulfide
    • 252736-36-0
    • Propyl furfuryl disulfide
    • 2-[(propyldisulfanyl)methyl]furan
    • FEMA No. 3979
    • Furan, 2-((propyldithio)methyl)-
    • HVD52TXC64
    • Furfuryl propyl disulfide [FIFH]
    • UNII-HVD52TXC64
    • Furan,2-[(propyldithio)methyl]-
    • FURFURYL PROPYL DISULFIDE [FHFI]
    • 2-((propyldisulfanyl)methyl)furan
    • Furfuryl propyl disulfide (FIFH)
    • SCHEMBL6129961
    • 2-[(propyldisulanyl)methyl]uran
    • CHEBI:179157
    • DTXCID501477887
    • 2-((Propyldisulfaneyl)methyl)furan
    • NS00126844

  • Applications

    Propyl furfuryl disulfide (CAS 252736-36-0) is used primarily as a chemical intermediate and specialty additive. In industrial manufacturing, it is employed as a reactive intermediate for sulfur-containing monomers and polymers, and as a crosslinking or processing aid in coatings, adhesives, and plastics formulations. In perfumery and cosmetics, it may function as an odorant or fixative component, contributing to fragrance profiles with sulfur-related notes. It can also serve as a precursor in the synthesis of pharmaceuticals or agrochemicals, and may be explored as a specialty additive in cleaning formulations under formulation controls and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1914.6
    methanol 1559.51
    isopropanol 1232.32
    water 0.16
    ethyl acetate 3802.27
    n-propanol 1443.89
    acetone 7701.89
    n-butanol 1286.94
    acetonitrile 3039.6
    DMF 6217.3
    toluene 2959.05
    isobutanol 1064.86
    1,4-dioxane 7857.53
    methyl acetate 3657.44
    THF 6769.98
    2-butanone 4413.83
    n-pentanol 893.81
    sec-butanol 1107.86
    n-hexane 141.37
    ethylene glycol 472.43
    NMP 3923.16
    cyclohexane 669.19
    DMSO 9767.53
    n-butyl acetate 1838.07
    n-octanol 484.66
    chloroform 7341.07
    n-propyl acetate 1657.9
    acetic acid 1980.62
    dichloromethane 7578.19
    cyclohexanone 6273.5
    propylene glycol 715.12
    isopropyl acetate 1716.87
    DMAc 4193.74
    2-ethoxyethanol 2120.39
    isopentanol 1042.56
    n-heptane 128.8
    ethyl formate 1641.95
    1,2-dichloroethane 5789.46
    n-hexanol 865.57
    2-methoxyethanol 3800.74
    isobutyl acetate 954.54
    tetrachloromethane 935.57
    n-pentyl acetate 943.59
    transcutol 8840.84
    n-heptanol 348.26
    ethylbenzene 761.79
    MIBK 1413.71
    2-propoxyethanol 1951.23
    tert-butanol 1457.96
    MTBE 2098.06
    2-butoxyethanol 832.42
    propionic acid 1434.29
    o-xylene 1056.88
    formic acid 439.66
    diethyl ether 2997.06
    m-xylene 1193.24
    p-xylene 903.13
    chlorobenzene 3092.73
    dimethyl carbonate 1207.92
    n-octane 53.69
    formamide 1011.22
    cyclopentanone 6049.56
    2-pentanone 3200.12
    anisole 2022.52
    cyclopentyl methyl ether 3232.03
    gamma-butyrolactone 4949.59
    1-methoxy-2-propanol 2349.01
    pyridine 7156.4
    3-pentanone 2542.52
    furfural 4879.72
    n-dodecane 51.52
    diethylene glycol 1622.23
    diisopropyl ether 630.86
    tert-amyl alcohol 1161.05
    acetylacetone 4305.76
    n-hexadecane 63.45
    acetophenone 1706.86
    methyl propionate 2922.74
    isopentyl acetate 1463.08
    trichloroethylene 10329.63
    n-nonanol 427.87
    cyclohexanol 1915.56
    benzyl alcohol 1393.2
    2-ethylhexanol 578.27
    isooctanol 298.56
    dipropyl ether 1009.07
    1,2-dichlorobenzene 2252.87
    ethyl lactate 550.33
    propylene carbonate 2259.68
    n-methylformamide 2293.6
    2-pentanol 817.6
    n-pentane 140.27
    1-propoxy-2-propanol 1371.45
    1-methoxy-2-propyl acetate 2023.55
    2-(2-methoxypropoxy) propanol 1145.69
    mesitylene 645.38
    ε-caprolactone 3739.19
    p-cymene 389.03
    epichlorohydrin 6629.4
    1,1,1-trichloroethane 4593.07
    2-aminoethanol 854.79
    morpholine-4-carbaldehyde 5370.63
    sulfolane 5568.44
    2,2,4-trimethylpentane 88.97
    2-methyltetrahydrofuran 4853.44
    n-hexyl acetate 1389.31
    isooctane 77.94
    2-(2-butoxyethoxy)ethanol 1792.31
    sec-butyl acetate 1039.27
    tert-butyl acetate 1753.94
    decalin 211.45
    glycerin 970.58
    diglyme 3580.36
    acrylic acid 1294.13
    isopropyl myristate 502.71
    n-butyric acid 2066.01
    acetyl acetate 2039.84
    di(2-ethylhexyl) phthalate 449.6
    ethyl propionate 1309.35
    nitromethane 5340.5
    1,2-diethoxyethane 2871.29
    benzonitrile 2175.99
    trioctyl phosphate 297.32
    1-bromopropane 2354.01
    gamma-valerolactone 7334.47
    n-decanol 318.09
    triethyl phosphate 433.28
    4-methyl-2-pentanol 420.25
    propionitrile 1786.62
    vinylene carbonate 2486.85
    1,1,2-trichlorotrifluoroethane 3655.97
    DMS 1506.75
    cumene 371.73
    2-octanol 296.43
    2-hexanone 1611.78
    octyl acetate 612.41
    limonene 689.25
    1,2-dimethoxyethane 3807.13
    ethyl orthosilicate 443.39
    tributyl phosphate 431.89
    diacetone alcohol 1648.05
    N,N-dimethylaniline 969.39
    acrylonitrile 2529.03
    aniline 2584.29
    1,3-propanediol 1294.05
    bromobenzene 3637.25
    dibromomethane 4705.85
    1,1,2,2-tetrachloroethane 7315.61
    2-methyl-cyclohexyl acetate 873.32
    tetrabutyl urea 605.27
    diisobutyl methanol 344.9
    2-phenylethanol 1107.07
    styrene 1354.69
    dioctyl adipate 757.58
    dimethyl sulfate 1881.23
    ethyl butyrate 1088.47
    methyl lactate 964.82
    butyl lactate 678.55
    diethyl carbonate 683.84
    propanediol butyl ether 1101.76
    triethyl orthoformate 739.07
    p-tert-butyltoluene 382.41
    methyl 4-tert-butylbenzoate 862.52
    morpholine 7745.54
    tert-butylamine 858.23
    n-dodecanol 250.94
    dimethoxymethane 3616.82
    ethylene carbonate 2056.9
    cyrene 1091.77
    2-ethoxyethyl acetate 2023.89
    2-ethylhexyl acetate 1219.32
    1,2,4-trichlorobenzene 2646.91
    4-methylpyridine 5833.26
    dibutyl ether 981.68
    2,6-dimethyl-4-heptanol 344.9
    DEF 3241.54
    dimethyl isosorbide 1916.83
    tetrachloroethylene 4206.31
    eugenol 869.08
    triacetin 1478.14
    span 80 987.19
    1,4-butanediol 540.72
    1,1-dichloroethane 4732.95
    2-methyl-1-pentanol 776.32
    methyl formate 1938.57
    2-methyl-1-butanol 1034.41
    n-decane 86.03
    butyronitrile 1885.6
    3,7-dimethyl-1-octanol 530.27
    1-chlorooctane 471.91
    1-chlorotetradecane 190.65
    n-nonane 84.44
    undecane 63.89
    tert-butylcyclohexane 147.45
    cyclooctane 184.82
    cyclopentanol 1643.27
    tetrahydropyran 6651.41
    tert-amyl methyl ether 1422.04
    2,5,8-trioxanonane 2259.15
    1-hexene 644.26
    2-isopropoxyethanol 1342.0
    2,2,2-trifluoroethanol 597.53
    methyl butyrate 1768.58

    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