(S)-(+)-Ketopinic acid
- Product Name(S)-(+)-Ketopinic acid
- CAS40724-67-2
- MFC10H14O3
- MW182.22
- EINECS
- MOL File40724-67-2.mol
Chemical Properties
| Melting point | 237-239 °C(lit.) |
| alpha | 58 º (C=1 IN CHLOROFORM) |
| Boiling point | 313.3±25.0 °C(Predicted) |
| Density | 1.238±0.06 g/cm3(Predicted) |
| refractive index | 25.5 ° (C=0.65, MeOH) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.67±0.40(Predicted) |
| color | White to Almost white |
| optical activity | [α]23/D +58°, c = 1 in chloroform |
| BRN | 4180005 |
| InChI | InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1 |
| InChIKey | WDODWBQJVMBHCO-LDWIPMOCSA-N |
| SMILES | [C@]12(C(O)=O)C(C)(C)[C@]([H])(CC1)CC2=O |
| CAS DataBase Reference | 40724-67-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 2918300090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
