2-Vinyl-(4H)-1,3-dithiin

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  • Identifiers

    CAS number
    80028-57-5

    Molecular formula
    C6H8S2

    SMILES
    C=CC1SCC=CS1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 60.17%
    Onion 53.67%
    Garlic 53.17%
    Alliaceous 44.78%
    Roasted 43.97%
    Pungent 40.33%
    Meaty 36.78%
    Cooked 32.52%
    Savory 30.69%
    Radish 25.96%

     

    Flavor
    Alliaceous 42.05%
    Garlic 39.33%
    Roasted 36.2%
    Sulfurous 35.93%
    Onion 33.2%
    Sulfur 31.08%
    Cooked 27.35%
    Horseradish 27.08%
    Meaty 23.15%
    Shrimp 22.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.06 (weak acid)

    Molecular weight
    144.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 78.96 ˚C est.

  • Synonyms

    • 2-Vinyl-4H-1,3-dithiin
    • 2-ethenyl-4H-1,3-dithiine
    • 2-Vdtii
    • 80028-57-5
    • 2-Vinyl-(4H)-1,3-dithiine
    • 2-Vinyl-[4H]-1,3-dithiin
    • 2-Vinyl-(4H)-1,3-dithiin
    • 2-vinyl-[4H]-1,3-dithiine
    • RefChem:910283
    • 2-Vinyl-4H-1,3-dithiine
    • 2-Ethenyl-4H-1,3-dithiin
    • 1-Ethyltridecyl 3-bromobenzoate
    • 2-vinyl-[4H]-1,3-dithin
    • 3-Bromobenzoic acid, 3-pentadecyl ester
    • vinyldithiin II
    • 2-ethenyl-2,4-dihydro-1,3-dithiine
    • 2-Vinyl-4H-1,3-dithin
    • 2-Vinyl-4H-1,2-dithiin
    • 2-Vinyl-1,3-dithi-4-ene
    • DV 2
    • SCHEMBL1300233
    • 4H-1,3-Dithiin, 2-ethenyl
    • H-1,3-Dithiin, 2-ethenyl-
    • 2-Vinyl-4(H)-1,3-dithiin
    • 4H-1,3-Dithiin, 2-ethenyl-
    • 2-Ethenyl-2H,4H-1,3-dithiine
    • DTXSID801000918
    • 2-vinyl-2,4-dihydro-1,3-dithiin
    • 2-Ethenyl-4H-1,3-dithiine, 9CI
    • 80028-57-5

  • Applications

    2-Vinyl-(4H)-1,3-dithiin, CAS 80028-57-5, is primarily used as an organic synthesis intermediate. It serves as a vinyl-containing building block for sulfur-containing heterocycles and can function as a monomer in specialty polymers and functional materials incorporating the dithiin scaffold. In coatings and adhesives, it may be employed as a sulfur-rich component or crosslinking/functionalization agent. The compound is also investigated as a building block for research into electronic and optoelectronic materials based on sulfur-containing heterocycles and for preparing more complex intermediates in material chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 349.47
    methanol 305.88
    isopropanol 292.88
    water 0.44
    ethyl acetate 684.8
    n-propanol 311.74
    acetone 1265.51
    n-butanol 313.01
    acetonitrile 521.72
    DMF 1304.65
    toluene 744.72
    isobutanol 227.58
    1,4-dioxane 1710.24
    methyl acetate 634.44
    THF 2180.96
    2-butanone 851.51
    n-pentanol 241.5
    sec-butanol 241.43
    n-hexane 64.91
    ethylene glycol 77.63
    NMP 1282.71
    cyclohexane 197.96
    DMSO 1794.89
    n-butyl acetate 685.92
    n-octanol 193.21
    chloroform 1409.65
    n-propyl acetate 451.16
    acetic acid 359.32
    dichloromethane 1190.96
    cyclohexanone 1557.94
    propylene glycol 105.92
    isopropyl acetate 441.95
    DMAc 749.27
    2-ethoxyethanol 418.73
    isopentanol 249.66
    n-heptane 118.06
    ethyl formate 422.23
    1,2-dichloroethane 867.05
    n-hexanol 378.13
    2-methoxyethanol 637.42
    isobutyl acetate 312.09
    tetrachloromethane 330.68
    n-pentyl acetate 377.74
    transcutol 1413.76
    n-heptanol 183.5
    ethylbenzene 211.77
    MIBK 450.82
    2-propoxyethanol 655.59
    tert-butanol 354.52
    MTBE 428.25
    2-butoxyethanol 342.89
    propionic acid 318.79
    o-xylene 305.98
    formic acid 83.81
    diethyl ether 637.44
    m-xylene 387.58
    p-xylene 240.15
    chlorobenzene 801.83
    dimethyl carbonate 290.21
    n-octane 43.65
    formamide 165.05
    cyclopentanone 1765.31
    2-pentanone 743.29
    anisole 487.99
    cyclopentyl methyl ether 889.95
    gamma-butyrolactone 1454.97
    1-methoxy-2-propanol 553.78
    pyridine 1359.54
    3-pentanone 579.18
    furfural 1358.61
    n-dodecane 35.68
    diethylene glycol 432.92
    diisopropyl ether 232.52
    tert-amyl alcohol 257.04
    acetylacetone 947.68
    n-hexadecane 42.45
    acetophenone 441.18
    methyl propionate 534.22
    isopentyl acetate 496.66
    trichloroethylene 1473.98
    n-nonanol 177.13
    cyclohexanol 408.51
    benzyl alcohol 307.95
    2-ethylhexanol 266.23
    isooctanol 152.97
    dipropyl ether 490.68
    1,2-dichlorobenzene 569.68
    ethyl lactate 183.85
    propylene carbonate 682.31
    n-methylformamide 484.2
    2-pentanol 232.18
    n-pentane 80.66
    1-propoxy-2-propanol 509.4
    1-methoxy-2-propyl acetate 620.12
    2-(2-methoxypropoxy) propanol 346.3
    mesitylene 262.97
    ε-caprolactone 982.13
    p-cymene 192.42
    epichlorohydrin 1428.03
    1,1,1-trichloroethane 995.99
    2-aminoethanol 144.59
    morpholine-4-carbaldehyde 1425.09
    sulfolane 1764.85
    2,2,4-trimethylpentane 45.05
    2-methyltetrahydrofuran 1208.2
    n-hexyl acetate 428.58
    isooctane 51.98
    2-(2-butoxyethoxy)ethanol 473.33
    sec-butyl acetate 304.68
    tert-butyl acetate 516.88
    decalin 80.02
    glycerin 179.77
    diglyme 955.24
    acrylic acid 276.65
    isopropyl myristate 203.84
    n-butyric acid 478.88
    acetyl acetate 461.45
    di(2-ethylhexyl) phthalate 165.37
    ethyl propionate 351.34
    nitromethane 926.19
    1,2-diethoxyethane 694.4
    benzonitrile 547.16
    trioctyl phosphate 131.75
    1-bromopropane 589.69
    gamma-valerolactone 1919.97
    n-decanol 144.27
    triethyl phosphate 192.78
    4-methyl-2-pentanol 158.63
    propionitrile 416.83
    vinylene carbonate 711.79
    1,1,2-trichlorotrifluoroethane 722.12
    DMS 377.48
    cumene 138.62
    2-octanol 135.12
    2-hexanone 493.95
    octyl acetate 238.8
    limonene 292.76
    1,2-dimethoxyethane 844.63
    ethyl orthosilicate 189.23
    tributyl phosphate 162.7
    diacetone alcohol 501.21
    N,N-dimethylaniline 290.79
    acrylonitrile 511.65
    aniline 505.47
    1,3-propanediol 253.73
    bromobenzene 942.87
    dibromomethane 898.42
    1,1,2,2-tetrachloroethane 1089.3
    2-methyl-cyclohexyl acetate 332.07
    tetrabutyl urea 227.97
    diisobutyl methanol 191.13
    2-phenylethanol 388.21
    styrene 312.47
    dioctyl adipate 250.39
    dimethyl sulfate 508.17
    ethyl butyrate 470.12
    methyl lactate 258.61
    butyl lactate 241.54
    diethyl carbonate 265.96
    propanediol butyl ether 308.9
    triethyl orthoformate 304.64
    p-tert-butyltoluene 194.44
    methyl 4-tert-butylbenzoate 331.19
    morpholine 1375.57
    tert-butylamine 209.81
    n-dodecanol 120.48
    dimethoxymethane 877.96
    ethylene carbonate 606.03
    cyrene 374.95
    2-ethoxyethyl acetate 529.37
    2-ethylhexyl acetate 429.67
    1,2,4-trichlorobenzene 646.41
    4-methylpyridine 1101.06
    dibutyl ether 337.25
    2,6-dimethyl-4-heptanol 191.13
    DEF 696.92
    dimethyl isosorbide 694.02
    tetrachloroethylene 704.62
    eugenol 316.74
    triacetin 397.84
    span 80 332.08
    1,4-butanediol 126.06
    1,1-dichloroethane 891.22
    2-methyl-1-pentanol 192.09
    methyl formate 444.78
    2-methyl-1-butanol 221.67
    n-decane 55.5
    butyronitrile 483.3
    3,7-dimethyl-1-octanol 204.52
    1-chlorooctane 190.09
    1-chlorotetradecane 89.96
    n-nonane 54.66
    undecane 43.2
    tert-butylcyclohexane 70.38
    cyclooctane 81.55
    cyclopentanol 438.86
    tetrahydropyran 1403.08
    tert-amyl methyl ether 319.89
    2,5,8-trioxanonane 659.96
    1-hexene 191.84
    2-isopropoxyethanol 331.91
    2,2,2-trifluoroethanol 164.19
    methyl butyrate 449.57

    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