5,5-Dimethyltetrathiane

  • Identifiers

    Molecular formula
    C4H8S4

    SMILES
    CC1(CSSSS1)C

  • Odor profile

    Fragrance
    Sulfurous 81.68%
    Onion 65.05%
    Garlic 57.3%
    Alliaceous 50.56%
    Meaty 50.53%
    Roasted 45.0%
    Savory 40.13%
    Cooked 36.61%
    Vegetable 27.29%
    Beefy 26.24%

     

    Flavor
    Sulfurous 54.08%
    Meaty 37.57%
    Green 35.88%
    Earthy 34.53%
    Vegetable 33.62%
    Onion 31.33%
    Roasted 30.26%
    Alliaceous 29.28%
    Sulfur 28.36%
    Sulfury 27.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    1.33 (strong acid)

    Molecular weight
    184.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    289°C

    Flash point

    • 109.25 ˚C est.

  • Synonyms

    • 5,5-dimethyltetrathiane
    • 5,5-dimethyl-1,2,3,4-tetrathiane
    • CHEBI:198904
  • Applications

    5,5-Dimethyltetrathiane is a cyclic organosulfur compound used primarily as a chemical building block in organosulfur synthesis. In practice, it serves as an intermediate for preparing sulfur-containing heterocycles and related materials. It is evaluated as a polymer processing additive or stabilizer in plastics and rubbers to improve processing and thermal stability. Given its sulfur features, it can be utilized as a fragrance fixative or odorant component in perfumery and flavor contexts. It is also considered as a starting material for coatings and adhesives formulations where sulfur-containing functionalities are beneficial. In some cases, it is explored for specialty applications in electronics or materials science as a precursor to sulfur-containing building blocks, subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.48
    methanol 66.1
    isopropanol 75.14
    water 0.61
    ethyl acetate 268.09
    n-propanol 81.81
    acetone 335.51
    n-butanol 93.38
    acetonitrile 158.08
    DMF 366.92
    toluene 300.78
    isobutanol 68.64
    1,4-dioxane 465.6
    methyl acetate 242.68
    THF 740.95
    2-butanone 274.49
    n-pentanol 69.96
    sec-butanol 73.11
    n-hexane 26.19
    ethylene glycol 32.18
    NMP 552.71
    cyclohexane 74.54
    DMSO 303.06
    n-butyl acetate 291.05
    n-octanol 115.83
    chloroform 513.92
    n-propyl acetate 179.49
    acetic acid 128.08
    dichloromethane 365.33
    cyclohexanone 557.74
    propylene glycol 49.1
    isopropyl acetate 222.71
    DMAc 323.44
    2-ethoxyethanol 138.08
    isopentanol 86.97
    n-heptane 58.78
    ethyl formate 162.03
    1,2-dichloroethane 250.61
    n-hexanol 147.71
    2-methoxyethanol 217.49
    isobutyl acetate 159.51
    tetrachloromethane 104.99
    n-pentyl acetate 204.13
    transcutol 478.41
    n-heptanol 92.19
    ethylbenzene 122.05
    MIBK 222.75
    2-propoxyethanol 280.47
    tert-butanol 113.44
    MTBE 175.41
    2-butoxyethanol 168.23
    propionic acid 108.3
    o-xylene 198.14
    formic acid 33.76
    diethyl ether 186.15
    m-xylene 245.14
    p-xylene 157.84
    chlorobenzene 328.47
    dimethyl carbonate 187.14
    n-octane 27.26
    formamide 54.83
    cyclopentanone 663.66
    2-pentanone 286.9
    anisole 272.44
    cyclopentyl methyl ether 405.65
    gamma-butyrolactone 581.48
    1-methoxy-2-propanol 205.98
    pyridine 384.96
    3-pentanone 246.81
    furfural 597.73
    n-dodecane 26.49
    diethylene glycol 206.77
    diisopropyl ether 107.46
    tert-amyl alcohol 97.6
    acetylacetone 466.83
    n-hexadecane 31.55
    acetophenone 277.38
    methyl propionate 237.6
    isopentyl acetate 270.23
    trichloroethylene 566.6
    n-nonanol 106.29
    cyclohexanol 171.09
    benzyl alcohol 167.13
    2-ethylhexanol 132.41
    isooctanol 79.29
    dipropyl ether 199.84
    1,2-dichlorobenzene 316.6
    ethyl lactate 108.31
    propylene carbonate 398.23
    n-methylformamide 137.54
    2-pentanol 78.82
    n-pentane 31.29
    1-propoxy-2-propanol 245.3
    1-methoxy-2-propyl acetate 379.12
    2-(2-methoxypropoxy) propanol 220.24
    mesitylene 176.73
    ε-caprolactone 432.56
    p-cymene 138.43
    epichlorohydrin 500.22
    1,1,1-trichloroethane 355.06
    2-aminoethanol 49.06
    morpholine-4-carbaldehyde 568.09
    sulfolane 659.6
    2,2,4-trimethylpentane 25.49
    2-methyltetrahydrofuran 450.15
    n-hexyl acetate 278.74
    isooctane 26.86
    2-(2-butoxyethoxy)ethanol 249.33
    sec-butyl acetate 157.82
    tert-butyl acetate 301.54
    decalin 44.27
    glycerin 78.43
    diglyme 446.85
    acrylic acid 121.82
    isopropyl myristate 153.43
    n-butyric acid 169.41
    acetyl acetate 263.16
    di(2-ethylhexyl) phthalate 132.83
    ethyl propionate 175.57
    nitromethane 283.11
    1,2-diethoxyethane 259.98
    benzonitrile 290.9
    trioctyl phosphate 102.69
    1-bromopropane 156.67
    gamma-valerolactone 769.54
    n-decanol 86.62
    triethyl phosphate 137.16
    4-methyl-2-pentanol 69.2
    propionitrile 138.32
    vinylene carbonate 358.86
    1,1,2-trichlorotrifluoroethane 329.16
    DMS 270.52
    cumene 90.18
    2-octanol 82.61
    2-hexanone 193.8
    octyl acetate 175.86
    limonene 191.49
    1,2-dimethoxyethane 282.93
    ethyl orthosilicate 132.53
    tributyl phosphate 125.65
    diacetone alcohol 259.03
    N,N-dimethylaniline 182.64
    acrylonitrile 172.84
    aniline 222.46
    1,3-propanediol 83.11
    bromobenzene 374.65
    dibromomethane 271.74
    1,1,2,2-tetrachloroethane 424.75
    2-methyl-cyclohexyl acetate 223.48
    tetrabutyl urea 160.9
    diisobutyl methanol 108.32
    2-phenylethanol 239.83
    styrene 158.22
    dioctyl adipate 177.97
    dimethyl sulfate 285.5
    ethyl butyrate 221.65
    methyl lactate 146.07
    butyl lactate 162.28
    diethyl carbonate 156.4
    propanediol butyl ether 175.0
    triethyl orthoformate 186.07
    p-tert-butyltoluene 156.73
    methyl 4-tert-butylbenzoate 268.35
    morpholine 406.19
    tert-butylamine 75.0
    n-dodecanol 74.48
    dimethoxymethane 320.79
    ethylene carbonate 296.94
    cyrene 263.1
    2-ethoxyethyl acetate 286.08
    2-ethylhexyl acetate 244.24
    1,2,4-trichlorobenzene 374.78
    4-methylpyridine 423.92
    dibutyl ether 163.44
    2,6-dimethyl-4-heptanol 108.32
    DEF 278.39
    dimethyl isosorbide 468.67
    tetrachloroethylene 259.05
    eugenol 229.56
    triacetin 292.38
    span 80 218.38
    1,4-butanediol 45.67
    1,1-dichloroethane 261.86
    2-methyl-1-pentanol 70.9
    methyl formate 160.19
    2-methyl-1-butanol 77.47
    n-decane 39.1
    butyronitrile 158.85
    3,7-dimethyl-1-octanol 127.34
    1-chlorooctane 115.75
    1-chlorotetradecane 60.75
    n-nonane 37.96
    undecane 31.35
    tert-butylcyclohexane 42.91
    cyclooctane 45.01
    cyclopentanol 178.57
    tetrahydropyran 393.53
    tert-amyl methyl ether 168.18
    2,5,8-trioxanonane 342.36
    1-hexene 67.39
    2-isopropoxyethanol 124.83
    2,2,2-trifluoroethanol 78.22
    methyl butyrate 204.93

    Scent© AI

1 of 4
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