1,2,4,6-Tetrathiepane

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  • Identifiers

    CAS number
    292-45-5

    Molecular formula
    C3H6S4

    SMILES
    C1SCSSCS1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 82.92%
    Meaty 57.35%
    Mushroom 53.07%
    Roasted 50.11%
    Garlic 49.88%
    Onion 47.22%
    Alliaceous 43.35%
    Cooked 35.45%
    Savory 33.19%
    Beefy 32.34%

     

    Flavor
    Roasted 41.53%
    Alliaceous 39.03%
    Sulfurous 38.4%
    Mushroom 35.66%
    Meaty 29.0%
    Sulfur 27.8%
    Garlic 26.98%
    Fishy 26.69%
    Onion 26.68%
    Savory 26.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    2.2 (strong acid)

    Molecular weight
    170.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Melting point expt.

    • 79 °C

    Flash point

    • 140.49 ˚C est.

  • Synonyms

    • 1,2,4,6-Tetrathiepane
    • 1,2,4,6-tetrathiacycloheptane
    • DTXSID30334345
    • RefChem:71489
    • DTXCID40285435
    • LCABDMYFXTZXMI-UHFFFAOYSA-N
    • Rocaglamide (FR aglaia elliptifolia)
    • 292-45-5
    • [1,2,4,6]tetrathiepane
    • SCHEMBL4457261
    • CHEMBL4277825
    • SCHEMBL14312164
    • 8B26246YVW
    • 292-45-5

  • Applications

    1,2,4,6-Tetrathiepane (CAS 292-45-5) is an organosulfur heterocycle used as an intermediate and building block in organic synthesis and sulfur-containing materials. Applications include: serving as an intermediate for organic synthesis and for sulfur-containing polymers; acting as a crosslinking agent or sulfur-bearing linkage unit in polymer systems, coatings, and adhesives; serving as a building block for polymer and electronic materials incorporating sulfur; and as a precursor to specialty sulfur compounds in chemical research and materials development. Its use may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.35
    methanol 83.79
    isopropanol 34.81
    water 2.08
    ethyl acetate 115.07
    n-propanol 49.88
    acetone 188.79
    n-butanol 43.39
    acetonitrile 93.88
    DMF 363.83
    toluene 102.13
    isobutanol 33.77
    1,4-dioxane 326.18
    methyl acetate 129.57
    THF 392.77
    2-butanone 148.35
    n-pentanol 40.41
    sec-butanol 39.29
    n-hexane 7.81
    ethylene glycol 32.2
    NMP 433.06
    cyclohexane 29.51
    DMSO 427.91
    n-butyl acetate 99.25
    n-octanol 44.73
    chloroform 426.03
    n-propyl acetate 91.52
    acetic acid 127.94
    dichloromethane 297.55
    cyclohexanone 266.83
    propylene glycol 32.96
    isopropyl acetate 76.19
    DMAc 289.45
    2-ethoxyethanol 114.77
    isopentanol 35.47
    n-heptane 19.72
    ethyl formate 103.77
    1,2-dichloroethane 190.8
    n-hexanol 50.12
    2-methoxyethanol 156.26
    isobutyl acetate 59.46
    tetrachloromethane 91.12
    n-pentyl acetate 89.65
    transcutol 372.54
    n-heptanol 48.04
    ethylbenzene 41.43
    MIBK 66.9
    2-propoxyethanol 121.26
    tert-butanol 47.45
    MTBE 52.98
    2-butoxyethanol 104.2
    propionic acid 88.62
    o-xylene 69.64
    formic acid 66.56
    diethyl ether 83.57
    m-xylene 57.62
    p-xylene 52.03
    chlorobenzene 166.17
    dimethyl carbonate 79.85
    n-octane 9.2
    formamide 134.59
    cyclopentanone 395.67
    2-pentanone 110.11
    anisole 131.11
    cyclopentyl methyl ether 159.95
    gamma-butyrolactone 386.59
    1-methoxy-2-propanol 119.24
    pyridine 357.5
    3-pentanone 107.05
    furfural 466.05
    n-dodecane 7.82
    diethylene glycol 106.8
    diisopropyl ether 31.86
    tert-amyl alcohol 47.98
    acetylacetone 183.71
    n-hexadecane 8.95
    acetophenone 153.47
    methyl propionate 112.26
    isopentyl acetate 78.67
    trichloroethylene 460.02
    n-nonanol 44.4
    cyclohexanol 65.68
    benzyl alcohol 98.15
    2-ethylhexanol 46.83
    isooctanol 41.9
    dipropyl ether 81.02
    1,2-dichlorobenzene 170.79
    ethyl lactate 55.55
    propylene carbonate 198.21
    n-methylformamide 161.34
    2-pentanol 32.89
    n-pentane 9.98
    1-propoxy-2-propanol 102.89
    1-methoxy-2-propyl acetate 118.2
    2-(2-methoxypropoxy) propanol 99.21
    mesitylene 39.23
    ε-caprolactone 212.11
    p-cymene 46.39
    epichlorohydrin 320.0
    1,1,1-trichloroethane 186.29
    2-aminoethanol 48.77
    morpholine-4-carbaldehyde 404.67
    sulfolane 530.2
    2,2,4-trimethylpentane 6.65
    2-methyltetrahydrofuran 208.65
    n-hexyl acetate 88.17
    isooctane 5.27
    2-(2-butoxyethoxy)ethanol 145.14
    sec-butyl acetate 62.91
    tert-butyl acetate 88.24
    decalin 14.72
    glycerin 73.12
    diglyme 314.96
    acrylic acid 109.2
    isopropyl myristate 48.3
    n-butyric acid 102.54
    acetyl acetate 110.1
    di(2-ethylhexyl) phthalate 54.27
    ethyl propionate 74.86
    nitromethane 310.14
    1,2-diethoxyethane 151.83
    benzonitrile 150.77
    trioctyl phosphate 38.54
    1-bromopropane 78.03
    gamma-valerolactone 442.85
    n-decanol 34.26
    triethyl phosphate 59.44
    4-methyl-2-pentanol 24.45
    propionitrile 77.84
    vinylene carbonate 214.28
    1,1,2-trichlorotrifluoroethane 300.5
    DMS 86.92
    cumene 32.13
    2-octanol 34.3
    2-hexanone 90.2
    octyl acetate 57.83
    limonene 66.95
    1,2-dimethoxyethane 203.24
    ethyl orthosilicate 58.98
    tributyl phosphate 43.11
    diacetone alcohol 103.52
    N,N-dimethylaniline 89.69
    acrylonitrile 127.91
    aniline 132.38
    1,3-propanediol 62.15
    bromobenzene 173.08
    dibromomethane 186.96
    1,1,2,2-tetrachloroethane 360.93
    2-methyl-cyclohexyl acetate 79.99
    tetrabutyl urea 66.5
    diisobutyl methanol 35.87
    2-phenylethanol 99.44
    styrene 65.27
    dioctyl adipate 78.27
    dimethyl sulfate 166.33
    ethyl butyrate 94.3
    methyl lactate 72.25
    butyl lactate 76.28
    diethyl carbonate 67.9
    propanediol butyl ether 85.25
    triethyl orthoformate 82.85
    p-tert-butyltoluene 45.1
    methyl 4-tert-butylbenzoate 122.71
    morpholine 286.3
    tert-butylamine 31.42
    n-dodecanol 28.63
    dimethoxymethane 186.33
    ethylene carbonate 156.89
    cyrene 150.14
    2-ethoxyethyl acetate 133.11
    2-ethylhexyl acetate 72.99
    1,2,4-trichlorobenzene 223.3
    4-methylpyridine 235.33
    dibutyl ether 67.5
    2,6-dimethyl-4-heptanol 35.87
    DEF 159.53
    dimethyl isosorbide 218.48
    tetrachloroethylene 285.87
    eugenol 126.81
    triacetin 131.35
    span 80 104.19
    1,4-butanediol 32.78
    1,1-dichloroethane 133.41
    2-methyl-1-pentanol 36.22
    methyl formate 138.16
    2-methyl-1-butanol 35.54
    n-decane 12.44
    butyronitrile 73.87
    3,7-dimethyl-1-octanol 41.33
    1-chlorooctane 39.19
    1-chlorotetradecane 19.42
    n-nonane 11.49
    undecane 9.35
    tert-butylcyclohexane 10.95
    cyclooctane 13.39
    cyclopentanol 86.28
    tetrahydropyran 206.51
    tert-amyl methyl ether 53.84
    2,5,8-trioxanonane 236.21
    1-hexene 23.53
    2-isopropoxyethanol 81.13
    2,2,2-trifluoroethanol 89.99
    methyl butyrate 97.7

    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