HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methional diethyl acetal
Einecs 240-681-3 · METHIONAL DIETHYL ACETAL · 1,1-diethoxy-3-(methylthio)propane · Propane, 1,1-diethoxy-3-(methylthio)-
Identifiers & Physical Properties
| CAS No. | 16630-61-8 |
|---|---|
| Molecular formula | C8H18O2S |
| Average molar mass | 178.29 g/mol |
| Monoisotopic mass | 178.10275099 g/mol |
| SMILES | CCOC(CCSC)OCC |
| InChIKey | FKAZTVDSOBDTFU-UHFFFAOYSA-N |
| PubChem CID | 85521 |
| ChEBI | CHEBI:173837 |
| EC No. | 240-681-3 |
| DTXSID | DTXSID10168089 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 43.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 7 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 72.5 |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.952-0.958 (20 °C)0.96 g/cm3 |
| Solubility | Practically insoluble or insoluble in waterSoluble (in ethanol) |
| Boiling point | 229.00 to 231.00 °C. @ 760.00 mm Hg118-119 °C (50 mm Hg)68-74 °C(Press: 0.7 Torr) |
| Refractive index | 1.447-1.453 |
| Physical Description | Clear colourless to pale yellow liquidPungent cabbage aroma |
| FEMA | 4590 | METHIONAL DIETHYL ACETAL |
| Odor | at 0.10 % in propylene glycol. pungent cabbage |
| Odor type | cabbage |
| JECFA Number | 1940 |
| LogP (partition coefficient) | 2.20 |
| Substances Added to Food (formerly EAFUS) | METHIONAL DIETHYL ACETAL |
| FDA UNII | X22S1I598Y |