Hexathiepane

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  • Identifiers

    CAS number
    17233-71-5

    Molecular formula
    CH2S6

    SMILES
    C1SSSSSS1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 83.74%
    Mushroom 57.5%
    Garlic 51.47%
    Meaty 47.73%
    Onion 43.4%
    Roasted 39.19%
    Alliaceous 35.16%
    Cooked 34.11%
    Savory 29.6%
    Pungent 27.87%

     

    Flavor
    Mushroom 36.23%
    Roasted 24.94%
    Alliaceous 24.36%
    Sulfurous 22.61%
    Alkaline 21.59%
    Shrimp 20.63%
    Bouillon 20.43%
    Scallion 20.09%
    Cereal 19.69%
    Meaty 19.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    -3.34 (strong acid)

    Molecular weight
    206.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    372°C

    Melting point expt.

    • 90 °C

    Flash point

    • 176.63 ˚C est.

  • Synonyms

    • Hexathiepane
    • 17233-71-5
    • DTXSID70938129
    • RefChem:1086655
    • DTXCID601366675
    • 1,2,3,4,5,6-hexathiepane
    • SCHEMBL28487036
    • CHEBI:184394
    • JMYWPEQXUQGQNF-UHFFFAOYSA-N
    • 1,2,3,4,5,6-Hexathiacycloheptane
    • 17233-71-5

  • Applications

    Hexathiepane (CAS 17233-71-5) is a sulfur-rich heterocyclic compound used primarily as an intermediate in organosulfur synthesis. It is commonly explored as a sulfur-donor building block for the production of polysulfide polymers and other sulfur-containing materials; it can serve as a crosslinking or curing agent in specialty elastomer, resin, and coating formulations; it is employed as a precursor for thiolated or thioether compounds used in further functionalization; and it is used in research settings to investigate sulfur-transfer reactions and the design of novel sulfur-containing reagents. Its use is typically limited to controlled formulation contexts and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.47
    methanol 35.57
    isopropanol 32.67
    water 0.48
    ethyl acetate 217.28
    n-propanol 36.29
    acetone 362.05
    n-butanol 38.73
    acetonitrile 132.44
    DMF 1012.54
    toluene 244.58
    isobutanol 31.02
    1,4-dioxane 567.89
    methyl acetate 245.26
    THF 592.98
    2-butanone 241.6
    n-pentanol 40.44
    sec-butanol 35.66
    n-hexane 16.87
    ethylene glycol 24.91
    NMP 1105.19
    cyclohexane 53.69
    DMSO 749.48
    n-butyl acetate 196.95
    n-octanol 58.94
    chloroform 561.85
    n-propyl acetate 178.92
    acetic acid 111.77
    dichloromethane 503.41
    cyclohexanone 543.85
    propylene glycol 22.44
    isopropyl acetate 179.11
    DMAc 758.78
    2-ethoxyethanol 136.86
    isopentanol 42.75
    n-heptane 34.99
    ethyl formate 156.19
    1,2-dichloroethane 350.21
    n-hexanol 56.39
    2-methoxyethanol 185.11
    isobutyl acetate 132.05
    tetrachloromethane 131.12
    n-pentyl acetate 168.3
    transcutol 541.23
    n-heptanol 50.45
    ethylbenzene 130.64
    MIBK 172.91
    2-propoxyethanol 165.3
    tert-butanol 58.98
    MTBE 112.37
    2-butoxyethanol 126.9
    propionic acid 76.91
    o-xylene 187.5
    formic acid 43.34
    diethyl ether 138.53
    m-xylene 175.45
    p-xylene 161.25
    chlorobenzene 371.96
    dimethyl carbonate 229.87
    n-octane 20.58
    formamide 111.26
    cyclopentanone 704.11
    2-pentanone 219.11
    anisole 359.45
    cyclopentyl methyl ether 303.21
    gamma-butyrolactone 644.15
    1-methoxy-2-propanol 151.91
    pyridine 522.02
    3-pentanone 226.08
    furfural 1025.77
    n-dodecane 18.95
    diethylene glycol 146.65
    diisopropyl ether 83.11
    tert-amyl alcohol 56.42
    acetylacetone 577.38
    n-hexadecane 22.58
    acetophenone 402.67
    methyl propionate 212.32
    isopentyl acetate 177.76
    trichloroethylene 868.79
    n-nonanol 62.12
    cyclohexanol 86.58
    benzyl alcohol 186.57
    2-ethylhexanol 68.85
    isooctanol 50.79
    dipropyl ether 141.92
    1,2-dichlorobenzene 452.33
    ethyl lactate 99.42
    propylene carbonate 372.39
    n-methylformamide 214.43
    2-pentanol 38.96
    n-pentane 15.77
    1-propoxy-2-propanol 145.83
    1-methoxy-2-propyl acetate 276.86
    2-(2-methoxypropoxy) propanol 206.09
    mesitylene 144.78
    ε-caprolactone 399.1
    p-cymene 123.81
    epichlorohydrin 619.13
    1,1,1-trichloroethane 387.55
    2-aminoethanol 31.54
    morpholine-4-carbaldehyde 1140.91
    sulfolane 1107.9
    2,2,4-trimethylpentane 15.49
    2-methyltetrahydrofuran 326.73
    n-hexyl acetate 188.38
    isooctane 15.06
    2-(2-butoxyethoxy)ethanol 243.35
    sec-butyl acetate 144.27
    tert-butyl acetate 251.87
    decalin 45.58
    glycerin 59.88
    diglyme 601.27
    acrylic acid 108.34
    isopropyl myristate 122.52
    n-butyric acid 106.81
    acetyl acetate 291.67
    di(2-ethylhexyl) phthalate 118.75
    ethyl propionate 178.5
    nitromethane 501.47
    1,2-diethoxyethane 279.94
    benzonitrile 328.9
    trioctyl phosphate 80.92
    1-bromopropane 134.7
    gamma-valerolactone 1009.01
    n-decanol 53.5
    triethyl phosphate 144.03
    4-methyl-2-pentanol 37.72
    propionitrile 95.03
    vinylene carbonate 436.88
    1,1,2-trichlorotrifluoroethane 520.01
    DMS 299.55
    cumene 97.93
    2-octanol 45.14
    2-hexanone 183.0
    octyl acetate 130.61
    limonene 162.65
    1,2-dimethoxyethane 413.08
    ethyl orthosilicate 130.71
    tributyl phosphate 101.65
    diacetone alcohol 215.38
    N,N-dimethylaniline 265.78
    acrylonitrile 180.19
    aniline 204.08
    1,3-propanediol 51.71
    bromobenzene 480.26
    dibromomethane 295.95
    1,1,2,2-tetrachloroethane 590.73
    2-methyl-cyclohexyl acetate 188.93
    tetrabutyl urea 163.91
    diisobutyl methanol 67.08
    2-phenylethanol 178.81
    styrene 197.17
    dioctyl adipate 188.29
    dimethyl sulfate 571.07
    ethyl butyrate 203.08
    methyl lactate 140.22
    butyl lactate 122.69
    diethyl carbonate 155.25
    propanediol butyl ether 116.32
    triethyl orthoformate 167.37
    p-tert-butyltoluene 127.95
    methyl 4-tert-butylbenzoate 288.71
    morpholine 384.65
    tert-butylamine 38.36
    n-dodecanol 49.01
    dimethoxymethane 407.01
    ethylene carbonate 298.98
    cyrene 327.72
    2-ethoxyethyl acetate 281.83
    2-ethylhexyl acetate 169.75
    1,2,4-trichlorobenzene 537.44
    4-methylpyridine 490.11
    dibutyl ether 131.95
    2,6-dimethyl-4-heptanol 67.08
    DEF 372.69
    dimethyl isosorbide 525.97
    tetrachloroethylene 421.29
    eugenol 276.32
    triacetin 337.82
    span 80 196.34
    1,4-butanediol 31.7
    1,1-dichloroethane 242.41
    2-methyl-1-pentanol 44.12
    methyl formate 258.49
    2-methyl-1-butanol 37.21
    n-decane 26.45
    butyronitrile 98.83
    3,7-dimethyl-1-octanol 71.89
    1-chlorooctane 80.72
    1-chlorotetradecane 48.89
    n-nonane 24.39
    undecane 21.7
    tert-butylcyclohexane 33.14
    cyclooctane 35.59
    cyclopentanol 103.58
    tetrahydropyran 283.93
    tert-amyl methyl ether 121.42
    2,5,8-trioxanonane 471.58
    1-hexene 44.82
    2-isopropoxyethanol 113.76
    2,2,2-trifluoroethanol 92.83
    methyl butyrate 221.92

    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