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CAS NO.40018-26-6
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| p-Dithiane-2,5-diol Basic information |
| Product Name: | p-Dithiane-2,5-diol |
| Synonyms: | 1,4-DITHIANE-2,5-DIOL;2,5-DIHYDROXY-1,4-DITHIANE;4-DITHIANE-2,5-DIOL;MERCATOACETALDEHYDE DIMER;MERCAPTOACETALDEHYDE DIMER;DITHIANE;LABOTEST-BB LT00138118;FEMA 3826 |
| CAS: | 40018-26-6 |
| MF: | C4H8O2S2 |
| MW: | 152.24 |
| EINECS: | 254-751-6 |
| Product Categories: | Heterocyclic Compounds;aldehyde Flavor;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Others;S-Containing |
| Mol File: | 40018-26-6.mol |
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| p-Dithiane-2,5-diol Chemical Properties |
| mp | 130 °C (dec.)(lit.) |
| FEMA | 3826 |
| storage temp. | 2-8°C |
| solubility | H2O: 0.39% at 20 °C |
| Water Solubility | 3.9 g/L (20 ºC) |
| BRN | 104402 |
| CAS DataBase Reference | 40018-26-6(CAS DataBase Reference) |
| Safety Information |
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-41-43-52/53-36/37/38 |
| Safety Statements | 26-36/37/39-61-37/39-24-36 |
| RIDADR | UN2811 |
| WGK Germany | 2 |
| F | 1-8-10-13 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29349990 |
| Molecular Weight | 152.23512 g/mol |
|---|---|
| Molecular Formula | C4H8O2S2 |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 151.996571 g/mol |
| Monoisotopic Mass | 151.996571 g/mol |
| Topological Polar Surface Area | 91.1 A^2 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 68.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |