1,2,4,5-Tetrathiane

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  • Identifiers

    CAS number
    291-22-5

    Molecular formula
    C2H4S4

    SMILES
    C1SSCSS1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 85.17%
    Mushroom 57.75%
    Garlic 53.37%
    Meaty 52.69%
    Onion 47.52%
    Roasted 42.22%
    Alliaceous 40.28%
    Cooked 35.33%
    Savory 31.49%
    Beefy 28.08%

     

    Flavor
    Mushroom 36.44%
    Sulfurous 30.27%
    Alliaceous 29.74%
    Roasted 28.64%
    Fishy 23.95%
    Meaty 23.12%
    Savory 23.12%
    Alkaline 22.58%
    Sulfur 21.98%
    Shrimp 21.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    2.44 (strong acid)

    Molecular weight
    156.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 132 - 133 °C

    Boiling point

    • 239.00 °C. @ 760.00 mm Hg

    Flash point

    • 109.79 ˚C est.

  • Synonyms

    • 1,2,4,5-Tetrathiane
    • s-Tetrathiane
    • 291-22-5
    • 7563FNQ82N
    • DTXSID90334341
    • RefChem:71474
    • DTXCID00285431
    • 1,2,4,5-Tetrathiacyclohexane
    • UNII-7563FNQ82N
    • SCHEMBL4463709
    • SCHEMBL14312141
    • CHEBI:184932
    • VXTWQLLUXWBOGW-UHFFFAOYSA-N
    • NS00126186
    • Q27266348
    • 291-22-5

  • Applications

    1,2,4,5-Tetrathiane (CAS 291-22-5) is a sulfur-rich heterocyclic compound that can serve as a sulfur-containing building block for specialty chemistries. In polymers and plastics, it may be used as a precursor or crosslinking component to influence network structure and material properties; in coatings and inks, it can function as a synthesis intermediate or additive bearing sulfur functionality; in electronics and organic materials, it is evaluated as a precursor for sulfur-containing materials or for sulfur-bearing derivatives; in fragrance or perfumery, it may be considered as a fragrance intermediate or sulfur-containing component for aroma compounds; and in adhesives and broad industrial manufacturing, it can be used as a precursor for sulfur-containing crosslinkers or specialty additives. Actual use is highly formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.92
    methanol 8.28
    isopropanol 8.88
    water 0.34
    ethyl acetate 77.73
    n-propanol 11.49
    acetone 63.76
    n-butanol 11.82
    acetonitrile 39.59
    DMF 94.06
    toluene 77.73
    isobutanol 9.2
    1,4-dioxane 134.06
    methyl acetate 72.69
    THF 196.93
    2-butanone 64.02
    n-pentanol 11.38
    sec-butanol 11.85
    n-hexane 6.76
    ethylene glycol 5.43
    NMP 172.66
    cyclohexane 20.76
    DMSO 96.7
    n-butyl acetate 68.83
    n-octanol 22.32
    chloroform 263.31
    n-propyl acetate 55.47
    acetic acid 36.5
    dichloromethane 190.27
    cyclohexanone 127.6
    propylene glycol 6.83
    isopropyl acetate 60.48
    DMAc 102.48
    2-ethoxyethanol 33.42
    isopentanol 11.77
    n-heptane 16.54
    ethyl formate 42.75
    1,2-dichloroethane 110.58
    n-hexanol 18.34
    2-methoxyethanol 40.28
    isobutyl acetate 38.0
    tetrachloromethane 63.18
    n-pentyl acetate 58.13
    transcutol 147.73
    n-heptanol 19.15
    ethylbenzene 40.57
    MIBK 42.98
    2-propoxyethanol 46.4
    tert-butanol 15.68
    MTBE 30.13
    2-butoxyethanol 42.19
    propionic acid 30.82
    o-xylene 59.78
    formic acid 11.25
    diethyl ether 44.36
    m-xylene 53.52
    p-xylene 50.49
    chlorobenzene 108.34
    dimethyl carbonate 50.64
    n-octane 8.45
    formamide 27.41
    cyclopentanone 192.55
    2-pentanone 58.79
    anisole 92.23
    cyclopentyl methyl ether 107.57
    gamma-butyrolactone 211.12
    1-methoxy-2-propanol 37.32
    pyridine 147.74
    3-pentanone 63.47
    furfural 240.05
    n-dodecane 6.93
    diethylene glycol 30.25
    diisopropyl ether 26.26
    tert-amyl alcohol 17.24
    acetylacetone 120.25
    n-hexadecane 8.23
    acetophenone 103.13
    methyl propionate 64.8
    isopentyl acetate 56.05
    trichloroethylene 305.51
    n-nonanol 23.92
    cyclohexanol 26.19
    benzyl alcohol 45.72
    2-ethylhexanol 24.08
    isooctanol 18.45
    dipropyl ether 56.18
    1,2-dichlorobenzene 125.92
    ethyl lactate 30.75
    propylene carbonate 130.96
    n-methylformamide 38.35
    2-pentanol 12.56
    n-pentane 6.38
    1-propoxy-2-propanol 47.45
    1-methoxy-2-propyl acetate 92.22
    2-(2-methoxypropoxy) propanol 58.44
    mesitylene 41.77
    ε-caprolactone 124.18
    p-cymene 42.92
    epichlorohydrin 189.51
    1,1,1-trichloroethane 160.79
    2-aminoethanol 9.11
    morpholine-4-carbaldehyde 165.46
    sulfolane 255.04
    2,2,4-trimethylpentane 6.18
    2-methyltetrahydrofuran 123.07
    n-hexyl acetate 61.72
    isooctane 5.3
    2-(2-butoxyethoxy)ethanol 66.73
    sec-butyl acetate 47.21
    tert-butyl acetate 72.51
    decalin 16.05
    glycerin 14.36
    diglyme 164.53
    acrylic acid 36.97
    isopropyl myristate 39.14
    n-butyric acid 38.77
    acetyl acetate 98.53
    di(2-ethylhexyl) phthalate 34.34
    ethyl propionate 57.22
    nitromethane 108.97
    1,2-diethoxyethane 85.42
    benzonitrile 86.76
    trioctyl phosphate 24.65
    1-bromopropane 52.23
    gamma-valerolactone 208.15
    n-decanol 19.05
    triethyl phosphate 47.51
    4-methyl-2-pentanol 11.7
    propionitrile 33.71
    vinylene carbonate 135.94
    1,1,2-trichlorotrifluoroethane 152.59
    DMS 74.64
    cumene 29.74
    2-octanol 16.31
    2-hexanone 49.03
    octyl acetate 42.33
    limonene 56.46
    1,2-dimethoxyethane 83.74
    ethyl orthosilicate 44.8
    tributyl phosphate 30.47
    diacetone alcohol 55.78
    N,N-dimethylaniline 63.39
    acrylonitrile 52.62
    aniline 59.27
    1,3-propanediol 12.98
    bromobenzene 130.51
    dibromomethane 123.37
    1,1,2,2-tetrachloroethane 226.5
    2-methyl-cyclohexyl acetate 65.21
    tetrabutyl urea 42.92
    diisobutyl methanol 23.87
    2-phenylethanol 51.89
    styrene 55.22
    dioctyl adipate 56.68
    dimethyl sulfate 101.01
    ethyl butyrate 70.58
    methyl lactate 35.24
    butyl lactate 39.4
    diethyl carbonate 54.17
    propanediol butyl ether 34.09
    triethyl orthoformate 62.09
    p-tert-butyltoluene 43.2
    methyl 4-tert-butylbenzoate 87.82
    morpholine 107.74
    tert-butylamine 11.79
    n-dodecanol 16.44
    dimethoxymethane 75.35
    ethylene carbonate 94.12
    cyrene 82.22
    2-ethoxyethyl acetate 85.74
    2-ethylhexyl acetate 55.11
    1,2,4-trichlorobenzene 162.2
    4-methylpyridine 124.49
    dibutyl ether 47.97
    2,6-dimethyl-4-heptanol 23.87
    DEF 76.24
    dimethyl isosorbide 156.1
    tetrachloroethylene 155.65
    eugenol 73.13
    triacetin 96.69
    span 80 56.45
    1,4-butanediol 7.55
    1,1-dichloroethane 92.15
    2-methyl-1-pentanol 12.83
    methyl formate 42.88
    2-methyl-1-butanol 11.88
    n-decane 11.08
    butyronitrile 31.55
    3,7-dimethyl-1-octanol 25.19
    1-chlorooctane 32.27
    1-chlorotetradecane 17.01
    n-nonane 10.58
    undecane 8.38
    tert-butylcyclohexane 12.34
    cyclooctane 13.96
    cyclopentanol 34.32
    tetrahydropyran 98.22
    tert-amyl methyl ether 33.97
    2,5,8-trioxanonane 131.57
    1-hexene 15.88
    2-isopropoxyethanol 29.86
    2,2,2-trifluoroethanol 35.6
    methyl butyrate 63.76

    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