3,6-Dithiaoctane

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  • Identifiers

    CAS number
    5395-75-5

    Molecular formula
    C6H14S2

    SMILES
    CCSCCSCC

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 85.04%
    Onion 72.26%
    Alliaceous 71.6%
    Garlic 69.68%
    Meaty 59.92%
    Savory 55.87%
    Vegetable 55.22%
    Green 46.65%
    Roasted 45.21%
    Cooked 44.56%

     

    Flavor
    Onion 74.17%
    Sulfurous 68.29%
    Garlic 64.14%
    Green 51.83%
    Sulfury 40.41%
    Alliaceous 39.08%
    Cabbage 31.86%
    Metallic 31.59%
    Meaty 30.47%
    Cooked 27.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.02 (neutral)

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 85.08 ˚C est.

  • Synonyms

    • 3,6-Dithiaoctane
    • 5395-75-5
    • 1,2-Bis(ethylthio)ethane
    • EINECS 226-409-6
    • 07DT8QJ745
    • NSC-2283
    • DTXSID0022226
    • NSC 2283
    • RefChem:487627
    • DTXCID602226
    • 226-409-6
    • 1,2-Bis(ethylsulfanyl)ethane
    • Ethane, 1,2-bis(ethylthio)-
    • Ethyl 2-(ethylthio)ethyl sulfide
    • Dimethylenebis[ethyl sulfide]
    • UNII-07DT8QJ745
    • NSC2283
    • Ethane,2-bis(ethylthio)-
    • 1,2-bis-ethylsulfanyl-ethane
    • SCHEMBL145444
    • SCHEMBL779294
    • SCHEMBL918635
    • SCHEMBL8748172
    • 1,2-Bis(ethylsulfanyl)ethane #
    • DCXDVGKTBDNYRX-UHFFFAOYSA-
    • MFCD00026978
    • AKOS024332231
    • SY312421
    • DB-052440
    • CS-0236098
    • NS00032891
    • H56294
    • EN300-1688924
    • Q27236299
    • InChI=1/C6H14S2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
    • 5395-75-5

  • Applications

    3,6-Dithiaoctane (CAS 5395-75-5) is a sulfur-containing heterocycle that can be used as an intermediate in the synthesis of sulfur-containing heterocycles and as a ligand precursor for metal catalysts. It may function as a chelating agent or ligand in catalytic systems and can serve as a building block for sulfur-containing polymers and copolymers. The compound can also be evaluated as a processing aid or stabilizer in plastics, coatings, and adhesives to improve processability and material properties. In research and development, it is used as a specialized reagent for the preparation of sulfur-containing compounds, with actual applications governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 323.9
    methanol 140.58
    isopropanol 352.06
    water 0.04
    ethyl acetate 979.17
    n-propanol 444.91
    acetone 1115.69
    n-butanol 544.17
    acetonitrile 569.21
    DMF 681.36
    toluene 1189.49
    isobutanol 373.54
    1,4-dioxane 1975.88
    methyl acetate 729.83
    THF 3803.15
    2-butanone 1035.14
    n-pentanol 352.22
    sec-butanol 468.64
    n-hexane 592.34
    ethylene glycol 35.43
    NMP 1135.54
    cyclohexane 1998.3
    DMSO 939.74
    n-butyl acetate 1760.59
    n-octanol 384.08
    chloroform 3135.72
    n-propyl acetate 742.0
    acetic acid 423.05
    dichloromethane 2406.15
    cyclohexanone 2841.24
    propylene glycol 85.71
    isopropyl acetate 643.3
    DMAc 511.29
    2-ethoxyethanol 344.23
    isopentanol 449.97
    n-heptane 1429.8
    ethyl formate 525.98
    1,2-dichloroethane 1580.13
    n-hexanol 784.28
    2-methoxyethanol 481.07
    isobutyl acetate 460.7
    tetrachloromethane 937.4
    n-pentyl acetate 804.54
    transcutol 1433.91
    n-heptanol 386.43
    ethylbenzene 510.21
    MIBK 548.95
    2-propoxyethanol 735.43
    tert-butanol 569.52
    MTBE 801.62
    2-butoxyethanol 479.41
    propionic acid 437.96
    o-xylene 601.58
    formic acid 36.43
    diethyl ether 1221.7
    m-xylene 575.82
    p-xylene 616.93
    chlorobenzene 1390.38
    dimethyl carbonate 219.96
    n-octane 357.96
    formamide 78.3
    cyclopentanone 2704.57
    2-pentanone 1048.19
    anisole 659.6
    cyclopentyl methyl ether 1954.68
    gamma-butyrolactone 2070.52
    1-methoxy-2-propanol 470.03
    pyridine 2220.39
    3-pentanone 877.5
    furfural 1517.09
    n-dodecane 141.2
    diethylene glycol 266.43
    diisopropyl ether 474.28
    tert-amyl alcohol 553.14
    acetylacetone 894.45
    n-hexadecane 173.39
    acetophenone 596.87
    methyl propionate 625.23
    isopentyl acetate 1173.37
    trichloroethylene 2722.98
    n-nonanol 359.21
    cyclohexanol 1076.74
    benzyl alcohol 412.45
    2-ethylhexanol 794.86
    isooctanol 324.21
    dipropyl ether 1993.7
    1,2-dichlorobenzene 1057.31
    ethyl lactate 229.69
    propylene carbonate 1196.25
    n-methylformamide 263.68
    2-pentanol 472.55
    n-pentane 521.6
    1-propoxy-2-propanol 921.73
    1-methoxy-2-propyl acetate 834.9
    2-(2-methoxypropoxy) propanol 346.52
    mesitylene 405.39
    ε-caprolactone 1862.15
    p-cymene 576.25
    epichlorohydrin 1820.49
    1,1,1-trichloroethane 2210.04
    2-aminoethanol 96.6
    morpholine-4-carbaldehyde 997.67
    sulfolane 2062.61
    2,2,4-trimethylpentane 168.5
    2-methyltetrahydrofuran 2737.86
    n-hexyl acetate 832.85
    isooctane 134.47
    2-(2-butoxyethoxy)ethanol 527.72
    sec-butyl acetate 518.74
    tert-butyl acetate 717.22
    decalin 422.24
    glycerin 110.04
    diglyme 1251.35
    acrylic acid 336.35
    isopropyl myristate 391.3
    n-butyric acid 816.52
    acetyl acetate 623.4
    di(2-ethylhexyl) phthalate 243.8
    ethyl propionate 619.55
    nitromethane 657.1
    1,2-diethoxyethane 1278.81
    benzonitrile 903.63
    trioctyl phosphate 217.24
    1-bromopropane 1626.68
    gamma-valerolactone 2072.87
    n-decanol 272.42
    triethyl phosphate 437.18
    4-methyl-2-pentanol 250.23
    propionitrile 706.31
    vinylene carbonate 965.25
    1,1,2-trichlorotrifluoroethane 960.44
    DMS 419.56
    cumene 295.42
    2-octanol 302.51
    2-hexanone 791.35
    octyl acetate 446.76
    limonene 1136.19
    1,2-dimethoxyethane 1063.99
    ethyl orthosilicate 466.44
    tributyl phosphate 295.82
    diacetone alcohol 535.97
    N,N-dimethylaniline 383.0
    acrylonitrile 659.35
    aniline 785.49
    1,3-propanediol 204.97
    bromobenzene 1688.21
    dibromomethane 2148.23
    1,1,2,2-tetrachloroethane 2369.45
    2-methyl-cyclohexyl acetate 758.52
    tetrabutyl urea 404.96
    diisobutyl methanol 555.85
    2-phenylethanol 527.57
    styrene 717.58
    dioctyl adipate 475.27
    dimethyl sulfate 329.67
    ethyl butyrate 1306.06
    methyl lactate 207.29
    butyl lactate 449.16
    diethyl carbonate 690.74
    propanediol butyl ether 314.19
    triethyl orthoformate 935.71
    p-tert-butyltoluene 545.75
    methyl 4-tert-butylbenzoate 453.29
    morpholine 1951.92
    tert-butylamine 515.6
    n-dodecanol 222.11
    dimethoxymethane 562.23
    ethylene carbonate 926.63
    cyrene 372.81
    2-ethoxyethyl acetate 668.57
    2-ethylhexyl acetate 1078.91
    1,2,4-trichlorobenzene 1109.99
    4-methylpyridine 1706.4
    dibutyl ether 1242.94
    2,6-dimethyl-4-heptanol 555.85
    DEF 902.42
    dimethyl isosorbide 835.75
    tetrachloroethylene 1542.68
    eugenol 368.65
    triacetin 581.19
    span 80 492.85
    1,4-butanediol 83.01
    1,1-dichloroethane 1717.79
    2-methyl-1-pentanol 318.68
    methyl formate 250.18
    2-methyl-1-butanol 420.55
    n-decane 304.37
    butyronitrile 970.08
    3,7-dimethyl-1-octanol 451.61
    1-chlorooctane 629.84
    1-chlorotetradecane 235.04
    n-nonane 366.76
    undecane 194.45
    tert-butylcyclohexane 281.33
    cyclooctane 670.0
    cyclopentanol 1037.48
    tetrahydropyran 3283.4
    tert-amyl methyl ether 677.21
    2,5,8-trioxanonane 714.55
    1-hexene 976.65
    2-isopropoxyethanol 295.99
    2,2,2-trifluoroethanol 131.7
    methyl butyrate 869.57

    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