2,5-Dihydroxy-1,4-dithiane CAS 40018-26-6
Introduction：Basic information about 2,5-Dihydroxy-1,4-dithiane CAS 40018-26-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,5-Dihydroxy-1,4-dithiane Basic information
| Product Name: | 2,5-Dihydroxy-1,4-dithiane |
| Synonyms: | 1,4-DITHIANE-2,5-DIOL;2,5-DIHYDROXY-1,4-DITHIANE;4-DITHIANE-2,5-DIOL;MERCATOACETALDEHYDE DIMER;p-Dithiane-2,5-diol, 95% 250GR;1,4-Dithiane-2,5-dio;1,4-Dithian-2,5-diol;NSC 106280 |
| 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;bc0001 |
| Mol File: | 40018-26-6.mol |
2,5-Dihydroxy-1,4-dithiane Chemical Properties
| Melting point | 130 °C (dec.) (lit.) |
| Boiling point | 244.73°C (rough estimate) |
| density | 1.224 (estimate) |
| vapor pressure | 0Pa at 25℃ |
| FEMA | 3826 | 2,5-DIHYDROXY-1,4-DITHIANE |
| refractive index | 1.5200 (estimate) |
| storage temp. | 2-8°C |
| solubility | H2O: 0.39% at 20 °C |
| pka | 12.04±0.40(Predicted) |
| form | Crystalline Powder |
| color | White to yellow |
| PH | 4.9 (3.9g/l, H2O) |
| Odor | at 0.10 % in propylene glycol. sulfury meaty toasted bread broth egg tomato |
| Odor Type | sulfurous |
| biological source | synthetic |
| Water Solubility | 3.9 g/L (20 ºC) |
| JECFA Number | 550 |
| BRN | 104402 |
| Major Application | flavors and fragrances |
| InChI | 1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2 |
| InChIKey | YUIOPHXTILULQC-UHFFFAOYSA-N |
| SMILES | OC1CSC(O)CS1 |
| LogP | -0.276 at 22.8℃ and pH6.3 |
| 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 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Skin Sens. 1A STOT RE 2 |
| Chemical Properties | 2,5-Dihydroxy-1,4-dithiane has a sulfurous, meaty, toasted bread-like odor |
| Chemical Properties | white to yellowish crystalline powder |
| Uses | 1,4-Dithiane-2,5-diol is a hydroxylated dithiane derivative with phytogrowth-inhibitory and antibacterial activities. |
| Uses | 1,4-Dithiane-2,5-diol was used in the synthesis of:
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| Definition | ChEBI: 1,4-Dithiane-2,5-diol is a member of dithianes. |
| Aroma threshold values | Aroma characteristics at 0.1% EtoH: sulfurous, grilled meaty, pungent, brothy, eggy, heavy and rich,toasted bread, tomato |
| Taste threshold values | Taste characteristics at 0.25 to 10 ppm: metallic, meaty savory chicken and beef, sulfurous,egg-yolk-like |
| Synthesis Reference(s) | Synthetic Communications, 14, p. 483, 1984 DOI: 10.1080/00397918408059569 |
| General Description | 1,4-Dithiane-2,5-diol undergoes bifunctional squaramide catalyzed sulfa-Michael/aldol cascade reaction with chalcones to afford trisubstituted tetrahydrothiophenes. It participates in diastereoselective [3+3] cycloaddition with azomethine imines catalyzed by 1,4-diazabicyclo[2.2.2]octane. It is a mercaptoacetaldehyde dimer and an efficient synthon for incorporating a thiol group to in situ generated nitroalkenes. |
2,5-Dihydroxy-1,4-dithiane Preparation Products And Raw materials
| Preparation Products | 3-METHOXYCARBONYL-3-SULFOLENE-->Methyl 2-aminothiophene-3-carboxylate-->methyl 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylate-->2-AMINO-3-CYANOTHIOPHENE-->(2-AMINOTHIOPHEN-3-YL)(THIOPHEN-2-YL)METHANONE-->(2-Amino-thiophen-3-yl)-(4-fluoro-phenyl)-methanone |
