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| | 2,5-Dihydroxy-1,4-dithiane Basic information |
| Product Name: | 2,5-Dihydroxy-1,4-dithiane | | Synonyms: | 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;1,4-Dithiane-2,5-diol
Mercaptoacetaldehyde Dimer | | 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℃ | | refractive index | 1.5200 (estimate) | | FEMA | 3826 | 2,5-DIHYDROXY-1,4-DITHIANE | | storage temp. | 2-8°C | | solubility | H2O: 0.39% at 20 °C | | form | Crystalline Powder | | pka | 12.04±0.40(Predicted) | | 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) |
| 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 |
| | 2,5-Dihydroxy-1,4-dithiane Usage And Synthesis |
| 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:
- substituted tetrahydrothiophene derivatives
- 2-amino-3-(arylsulfonyl)thiophenes, potential antiviral and antitumor agents
| | 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 |
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