5-[(3S)-Dithiolan-3-yl]pentanoic acid
- Product Name5-[(3S)-Dithiolan-3-yl]pentanoic acid
- CAS1077-27-6
- MFC8H14O2S2
- MW206.33
- EINECS
- MOL File1077-27-6.mol
Chemical Properties
| Melting point | 47 °C |
| alpha | D23 -113° (c = 1.88 in benzene) |
| Boiling point | 362.5±11.0 °C(Predicted) |
| Density | 1.218±0.06 g/cm3(Predicted) |
| refractive index | -114 ° (C=1, EtOH) |
| storage temp. | -20°C |
| solubility | Chloroform (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | 4.75±0.10(Predicted) |
| color | Pale Yellow to Light Yellow |
| Merck | 9326 |
| BRN | 81852 |
| InChI | 1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1 |
| InChIKey | AGBQKNBQESQNJD-ZETCQYMHSA-N |
| SMILES | OC(=O)CCCC[C@H]1CCSS1 || OC(=O)CCCC[C@H]1CCSS1 |
| LogP | 2.160 (est) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |