1,2,4,5-Tetrathiane, 3,6-diethyl-

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  • Identifiers

    CAS number
    54717-12-3

    Molecular formula
    C6H12S4

    SMILES
    CCC1SSC(SS1)CC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 75.33%
    Onion 60.01%
    Roasted 53.54%
    Meaty 52.1%
    Garlic 49.66%
    Alliaceous 46.36%
    Cooked 41.39%
    Savory 41.06%
    Beefy 29.32%
    Mushroom 26.88%

     

    Flavor
    Sulfurous 61.72%
    Onion 37.21%
    Alliaceous 34.75%
    Meaty 33.07%
    Roasted 29.74%
    Garlic 27.27%
    Savory 24.98%
    Cabbage 24.45%
    Bouillon 23.27%
    Sulfury 23.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    3.6 (weak acid)

    Molecular weight
    212.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 138.33 ˚C est.

  • Synonyms

    • 3,6-Diethyl-1,2,4,5-tetrathiane
    • 1,2,4,5-Tetrathiane, 3,6-diethyl-
    • DTXSID801019797
    • RefChem:196685
    • DTXCID901477689
    • trans-3,6-Diethyl-1,2,4,5-tetrathietane
    • 1,2,4,5-Tetrathiane, 3,6-diethyl-, trans-
    • 3,6-Diethyl-1,2,4,5-tetrathiane, trans-
    • I65771C8KC
    • 54717-12-3
    • FEMA No. 4094, 3,6-diethyl-1,2,4,5-tetrathiane, trans-
    • 934273-77-5
    • UNII-I65771C8KC
    • (+-)-3,6-Diethyl-1,2,4,5-tetrathiane, trans-
    • SCHEMBL4945127
    • WASBDGZBDGMWMT-IZLXSQMJSA-N
    • WASBDGZBDGMWMT-OLQVQODUSA-N
    • cis-3,6-Diethyl-1,2,4,5-tetrathietane
    • trans-3,6-diethyl-1,2,4,5-tetrathiane
    • NS00126217
    • 1,2,4,5-Tetrathiane, 3,6-diethyl-, cis-
    • (3r,6r)-3,6-diethyl-1,2,4,5-tetrathiane
    • (3s,6s)-3,6-diethyl-1,2,4,5-tetrathiane
    • Q27280498
    • (+/-)-3,6-DIETHYL-1,2,4,5-TETRATHIANE, TRANS-
    • 54717-12-3

  • Applications

    For 1,2,4,5-Tetrathiane, 3,6-diethyl- (CAS 54717-12-3), it is primarily used as a sulfur-containing organic intermediate for the synthesis of sulfur-bearing compounds. In the polymer industry, it may function as a crosslinking agent or precursor for incorporating sulfur into plastics and elastomers, improving mechanical properties and thermal resistance. In coatings and inks, it can be employed as an additive or sulfur-containing linking agent to reinforce the network. In adhesives, it may act as a sulfur-containing crosslinker or curing aid. In electronics and specialty materials, it can serve as a precursor for sulfur-containing ligands or materials for advanced technologies. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.4
    methanol 32.38
    isopropanol 47.98
    water 0.03
    ethyl acetate 360.52
    n-propanol 52.52
    acetone 621.95
    n-butanol 58.29
    acetonitrile 181.69
    DMF 1121.45
    toluene 477.02
    isobutanol 48.83
    1,4-dioxane 844.69
    methyl acetate 360.79
    THF 1436.91
    2-butanone 427.88
    n-pentanol 47.51
    sec-butanol 45.1
    n-hexane 26.07
    ethylene glycol 14.38
    NMP 1855.34
    cyclohexane 144.98
    DMSO 734.52
    n-butyl acetate 454.51
    n-octanol 73.45
    chloroform 1008.52
    n-propyl acetate 260.7
    acetic acid 125.44
    dichloromethane 967.42
    cyclohexanone 1384.67
    propylene glycol 19.62
    isopropyl acetate 301.5
    DMAc 751.7
    2-ethoxyethanol 103.27
    isopentanol 60.82
    n-heptane 61.12
    ethyl formate 240.47
    1,2-dichloroethane 686.4
    n-hexanol 91.49
    2-methoxyethanol 173.46
    isobutyl acetate 202.72
    tetrachloromethane 241.7
    n-pentyl acetate 299.46
    transcutol 350.79
    n-heptanol 60.76
    ethylbenzene 182.69
    MIBK 285.27
    2-propoxyethanol 193.94
    tert-butanol 87.39
    MTBE 185.55
    2-butoxyethanol 120.81
    propionic acid 112.16
    o-xylene 285.68
    formic acid 18.44
    diethyl ether 207.68
    m-xylene 311.87
    p-xylene 263.27
    chlorobenzene 756.11
    dimethyl carbonate 280.64
    n-octane 31.25
    formamide 58.51
    cyclopentanone 1869.46
    2-pentanone 407.66
    anisole 404.96
    cyclopentyl methyl ether 684.49
    gamma-butyrolactone 1698.55
    1-methoxy-2-propanol 143.06
    pyridine 1025.95
    3-pentanone 396.75
    furfural 1604.35
    n-dodecane 24.89
    diethylene glycol 115.47
    diisopropyl ether 113.7
    tert-amyl alcohol 69.86
    acetylacetone 843.09
    n-hexadecane 31.54
    acetophenone 495.33
    methyl propionate 333.29
    isopentyl acetate 400.78
    trichloroethylene 1620.87
    n-nonanol 75.28
    cyclohexanol 164.39
    benzyl alcohol 207.79
    2-ethylhexanol 108.9
    isooctanol 58.77
    dipropyl ether 254.62
    1,2-dichlorobenzene 811.72
    ethyl lactate 103.66
    propylene carbonate 893.38
    n-methylformamide 251.15
    2-pentanol 48.99
    n-pentane 26.93
    1-propoxy-2-propanol 178.83
    1-methoxy-2-propyl acetate 489.8
    2-(2-methoxypropoxy) propanol 171.43
    mesitylene 250.71
    ε-caprolactone 945.01
    p-cymene 197.05
    epichlorohydrin 1190.44
    1,1,1-trichloroethane 859.51
    2-aminoethanol 26.14
    morpholine-4-carbaldehyde 1322.44
    sulfolane 2358.99
    2,2,4-trimethylpentane 22.35
    2-methyltetrahydrofuran 779.75
    n-hexyl acetate 332.32
    isooctane 21.46
    2-(2-butoxyethoxy)ethanol 187.61
    sec-butyl acetate 196.89
    tert-butyl acetate 430.47
    decalin 67.16
    glycerin 38.08
    diglyme 536.33
    acrylic acid 133.0
    isopropyl myristate 188.7
    n-butyric acid 189.35
    acetyl acetate 408.86
    di(2-ethylhexyl) phthalate 169.55
    ethyl propionate 259.13
    nitromethane 524.39
    1,2-diethoxyethane 329.69
    benzonitrile 568.7
    trioctyl phosphate 113.56
    1-bromopropane 276.31
    gamma-valerolactone 1973.57
    n-decanol 62.14
    triethyl phosphate 220.42
    4-methyl-2-pentanol 41.24
    propionitrile 163.35
    vinylene carbonate 883.35
    1,1,2-trichlorotrifluoroethane 607.56
    DMS 458.3
    cumene 121.37
    2-octanol 56.5
    2-hexanone 272.92
    octyl acetate 196.81
    limonene 296.54
    1,2-dimethoxyethane 411.31
    ethyl orthosilicate 193.21
    tributyl phosphate 153.73
    diacetone alcohol 274.25
    N,N-dimethylaniline 279.02
    acrylonitrile 272.04
    aniline 315.87
    1,3-propanediol 52.58
    bromobenzene 989.89
    dibromomethane 586.54
    1,1,2,2-tetrachloroethane 1074.95
    2-methyl-cyclohexyl acetate 340.09
    tetrabutyl urea 250.64
    diisobutyl methanol 98.87
    2-phenylethanol 256.28
    styrene 280.88
    dioctyl adipate 269.2
    dimethyl sulfate 567.94
    ethyl butyrate 383.73
    methyl lactate 141.63
    butyl lactate 164.89
    diethyl carbonate 268.41
    propanediol butyl ether 92.64
    triethyl orthoformate 292.48
    p-tert-butyltoluene 211.64
    methyl 4-tert-butylbenzoate 362.26
    morpholine 643.34
    tert-butylamine 56.35
    n-dodecanol 54.3
    dimethoxymethane 474.77
    ethylene carbonate 655.89
    cyrene 365.9
    2-ethoxyethyl acetate 400.88
    2-ethylhexyl acetate 394.52
    1,2,4-trichlorobenzene 945.17
    4-methylpyridine 976.67
    dibutyl ether 210.99
    2,6-dimethyl-4-heptanol 98.87
    DEF 551.45
    dimethyl isosorbide 712.56
    tetrachloroethylene 635.69
    eugenol 275.4
    triacetin 397.93
    span 80 187.23
    1,4-butanediol 26.02
    1,1-dichloroethane 514.11
    2-methyl-1-pentanol 50.22
    methyl formate 299.68
    2-methyl-1-butanol 51.9
    n-decane 38.32
    butyronitrile 191.79
    3,7-dimethyl-1-octanol 93.69
    1-chlorooctane 129.41
    1-chlorotetradecane 68.66
    n-nonane 37.21
    undecane 29.88
    tert-butylcyclohexane 47.35
    cyclooctane 69.03
    cyclopentanol 209.4
    tetrahydropyran 666.59
    tert-amyl methyl ether 174.97
    2,5,8-trioxanonane 374.2
    1-hexene 69.35
    2-isopropoxyethanol 87.46
    2,2,2-trifluoroethanol 82.42
    methyl butyrate 346.5

    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