3,6-Dimethyl-1,2,4,5-tetrathiane

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  • Identifiers

    CAS number
    67411-27-2

    Molecular formula
    C4H8S4

    SMILES
    CC1SSC(SS1)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 78.98%
    Meaty 63.52%
    Onion 54.86%
    Roasted 52.89%
    Garlic 46.12%
    Cooked 41.27%
    Alliaceous 40.41%
    Savory 38.85%
    Beefy 35.91%
    Mushroom 25.89%

     

    Flavor
    Sulfurous 55.27%
    Meaty 40.97%
    Alliaceous 33.73%
    Onion 33.53%
    Roasted 31.8%
    Sulfur 30.96%
    Savory 28.44%
    Cabbage 25.39%
    Garlic 24.57%
    Bouillon 24.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    3.71 (weak acid)

    Molecular weight
    184.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 113.02 ˚C est.

  • Synonyms

    • 3,6-dimethyl-1,2,4,5-tetrathiane
    • 67411-27-2
    • 3,6-Dimethyl-1,2,4,5-tetrathietane
    • 1,2,4,5-Tetrathiane, 3,6-dimethyl-
    • DTXSID70335730
    • 2910Y955PI
    • RefChem:487590
    • DTXCID70286819
    • UNII-REI0J396YM
    • REI0J396YM
    • Trans-3,6-dimethyl-1,2,4,5-tetrathietane
    • 3,6-Dimethyl-1,2,4,5-tetrathiane, trans-
    • 3,6-Dimethyl-1,2,4,5-tetrathietane, trans-
    • 1,2,4,5-Tetrathiane, 3,6-dimethyl-, trans-
    • 1,2,4,5-Tetrathiane, 3,6-dimethyl
    • Cis-3,6-dimethyl-1,2,4,5-tetrathietane
    • 3,6-Dimethyl-1,2,4,5-tetrathiane, cis-
    • 3,6-Dimethyl-1,2,4,5-tetrathietane, cis-
    • 1,2,4,5-Tetrathiane, 3,6-dimethyl-, cis-
    • H3I9G0689E
    • 75100-47-9
    • 1,2,4,5-Tetrathiane, 3,6-dimethyl, #1
    • 1,2,4,5-Tetrathiane, 3,6-dimethyl, #2
    • 75100-46-8
    • UNII-H3I9G0689E
    • UNII-2910Y955PI
    • 4,6-dimethyl-1,2,3,4-tetrathiane
    • SCHEMBL4945123
    • OLLSVBUNSGNIRV-JPYJGEKTSA-N
    • OLLSVBUNSGNIRV-ZXZARUISSA-N
    • cis-3,6-dimethyl-1,2,4,5-tetrathiane
    • trans-3,6-dimethyl-1,2,4,5-tetrathiane
    • NS00124096
    • 1,2,4,5-Tetrathiocyclohexane, 3,6-dimethyl
    • Q27279593
    • Q27288068
    • 67411-27-2

  • Applications

    3,6-Dimethyl-1,2,4,5-tetrathiane is commonly used as a building block in organosulfur chemistry, primarily as an intermediate to introduce sulfur-containing motifs into cyclic frameworks. It is often evaluated as a precursor for sulfur-rich heterocycles that may be pursued in pharmaceutical and agrochemical research. In polymer science, the compound can serve as a functionalizing reagent or a crosslinking modifier for sulfur-containing polymers, or be used to tune material properties. In materials science and coordination chemistry, it can act as a precursor or ligand for metal-sulfur complexes and related materials. It is also used as a research reagent for sulfur chemistry in laboratories, with practical applications dependent on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.97
    methanol 28.85
    isopropanol 31.48
    water 0.45
    ethyl acetate 254.84
    n-propanol 30.51
    acetone 440.72
    n-butanol 31.77
    acetonitrile 154.57
    DMF 879.65
    toluene 196.08
    isobutanol 25.84
    1,4-dioxane 525.01
    methyl acetate 286.59
    THF 783.13
    2-butanone 280.95
    n-pentanol 25.89
    sec-butanol 28.99
    n-hexane 10.89
    ethylene glycol 16.15
    NMP 977.1
    cyclohexane 35.7
    DMSO 561.99
    n-butyl acetate 237.48
    n-octanol 47.0
    chloroform 533.47
    n-propyl acetate 176.89
    acetic acid 96.82
    dichloromethane 467.18
    cyclohexanone 652.82
    propylene glycol 17.3
    isopropyl acetate 223.57
    DMAc 575.08
    2-ethoxyethanol 91.53
    isopentanol 31.17
    n-heptane 27.58
    ethyl formate 169.96
    1,2-dichloroethane 324.87
    n-hexanol 47.87
    2-methoxyethanol 144.68
    isobutyl acetate 134.9
    tetrachloromethane 134.57
    n-pentyl acetate 169.06
    transcutol 278.04
    n-heptanol 39.1
    ethylbenzene 96.38
    MIBK 190.45
    2-propoxyethanol 145.18
    tert-butanol 58.49
    MTBE 118.61
    2-butoxyethanol 98.77
    propionic acid 78.96
    o-xylene 162.15
    formic acid 25.48
    diethyl ether 117.64
    m-xylene 162.34
    p-xylene 148.69
    chlorobenzene 374.09
    dimethyl carbonate 233.04
    n-octane 15.72
    formamide 71.49
    cyclopentanone 1011.69
    2-pentanone 260.57
    anisole 285.26
    cyclopentyl methyl ether 338.7
    gamma-butyrolactone 993.55
    1-methoxy-2-propanol 131.47
    pyridine 402.74
    3-pentanone 242.99
    furfural 1070.57
    n-dodecane 14.22
    diethylene glycol 106.26
    diisopropyl ether 75.66
    tert-amyl alcohol 46.21
    acetylacetone 687.69
    n-hexadecane 17.75
    acetophenone 347.64
    methyl propionate 238.9
    isopentyl acetate 210.34
    trichloroethylene 847.62
    n-nonanol 48.51
    cyclohexanol 72.56
    benzyl alcohol 132.27
    2-ethylhexanol 53.21
    isooctanol 37.29
    dipropyl ether 138.22
    1,2-dichlorobenzene 441.93
    ethyl lactate 87.22
    propylene carbonate 522.06
    n-methylformamide 204.4
    2-pentanol 30.47
    n-pentane 10.64
    1-propoxy-2-propanol 133.11
    1-methoxy-2-propyl acetate 338.03
    2-(2-methoxypropoxy) propanol 150.63
    mesitylene 145.33
    ε-caprolactone 467.62
    p-cymene 108.22
    epichlorohydrin 709.3
    1,1,1-trichloroethane 516.93
    2-aminoethanol 21.11
    morpholine-4-carbaldehyde 984.03
    sulfolane 1339.02
    2,2,4-trimethylpentane 11.69
    2-methyltetrahydrofuran 386.28
    n-hexyl acetate 203.1
    isooctane 12.85
    2-(2-butoxyethoxy)ethanol 149.44
    sec-butyl acetate 141.56
    tert-butyl acetate 311.97
    decalin 30.33
    glycerin 42.9
    diglyme 435.53
    acrylic acid 100.38
    isopropyl myristate 127.79
    n-butyric acid 115.41
    acetyl acetate 359.72
    di(2-ethylhexyl) phthalate 101.88
    ethyl propionate 180.41
    nitromethane 504.65
    1,2-diethoxyethane 213.68
    benzonitrile 304.44
    trioctyl phosphate 74.12
    1-bromopropane 115.14
    gamma-valerolactone 1218.67
    n-decanol 40.12
    triethyl phosphate 160.51
    4-methyl-2-pentanol 28.73
    propionitrile 101.82
    vinylene carbonate 531.01
    1,1,2-trichlorotrifluoroethane 434.64
    DMS 332.68
    cumene 72.31
    2-octanol 35.62
    2-hexanone 172.98
    octyl acetate 134.11
    limonene 144.3
    1,2-dimethoxyethane 314.26
    ethyl orthosilicate 134.73
    tributyl phosphate 96.57
    diacetone alcohol 226.63
    N,N-dimethylaniline 190.24
    acrylonitrile 182.95
    aniline 162.03
    1,3-propanediol 40.0
    bromobenzene 451.21
    dibromomethane 261.0
    1,1,2,2-tetrachloroethane 580.35
    2-methyl-cyclohexyl acetate 198.09
    tetrabutyl urea 147.42
    diisobutyl methanol 61.84
    2-phenylethanol 152.02
    styrene 141.44
    dioctyl adipate 171.28
    dimethyl sulfate 574.12
    ethyl butyrate 217.57
    methyl lactate 133.81
    butyl lactate 106.23
    diethyl carbonate 168.89
    propanediol butyl ether 82.58
    triethyl orthoformate 178.97
    p-tert-butyltoluene 123.19
    methyl 4-tert-butylbenzoate 274.8
    morpholine 363.04
    tert-butylamine 34.24
    n-dodecanol 35.17
    dimethoxymethane 383.05
    ethylene carbonate 380.99
    cyrene 263.39
    2-ethoxyethyl acetate 276.25
    2-ethylhexyl acetate 197.69
    1,2,4-trichlorobenzene 531.08
    4-methylpyridine 451.77
    dibutyl ether 118.54
    2,6-dimethyl-4-heptanol 61.84
    DEF 332.34
    dimethyl isosorbide 492.51
    tetrachloroethylene 342.25
    eugenol 209.94
    triacetin 318.99
    span 80 136.29
    1,4-butanediol 20.2
    1,1-dichloroethane 291.75
    2-methyl-1-pentanol 26.57
    methyl formate 254.79
    2-methyl-1-butanol 26.97
    n-decane 20.82
    butyronitrile 99.38
    3,7-dimethyl-1-octanol 57.66
    1-chlorooctane 73.51
    1-chlorotetradecane 42.32
    n-nonane 19.43
    undecane 16.78
    tert-butylcyclohexane 26.69
    cyclooctane 23.97
    cyclopentanol 100.97
    tetrahydropyran 285.83
    tert-amyl methyl ether 106.98
    2,5,8-trioxanonane 315.5
    1-hexene 30.39
    2-isopropoxyethanol 79.68
    2,2,2-trifluoroethanol 95.14
    methyl butyrate 215.05

    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