LINAMARIN
- Product NameLINAMARIN
- CAS554-35-8
- CBNumberCB3399987
- MFC10H17NO6
- MW247.25
- MDL NumberMFCD00036209
- MOL File554-35-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 142-143°C |
| alpha | D18 -29° |
| Boiling point | 390.28°C (rough estimate) |
| Density | 1.2868 (rough estimate) |
| refractive index | 1.4610 (estimate) |
| storage temp. | 2-8°C |
| solubility | Soluble in DMSO, Methanol, and Ethanol |
| form | solid |
| pka | 12.73±0.70(Predicted) |
| color | White or off-white |
| optical activity | [α]/D -26.5±2.0°, c = 1 in H2O |
| Stability | Acid Sensitive |
| InChI | InChI=1/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/s3 |
| InChIKey | QLTCHMYAEJEXBT-QHXZDXPMNA-N |
| SMILES | [C@H]1(OC(C)(C)C#N)[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,7,9,10,12,r| |
| FDA UNII | H3V9RP3WLO |
| UNSPSC Code | 12352201 |
| NACRES | NA.25 |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H302+H332-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/22-36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | TZ4850000 | |||||||||
| HS Code | 29400090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| Hazardous Substances Data | 554-35-8(Hazardous Substances Data) | |||||||||
| NFPA 704: |
|
