14721-66-5
| Name | PHYTANIC ACID |
| CAS | 14721-66-5 |
| Molecular Formula | C20H40O2 |
| MDL Number | MFCD00133772 |
| Molecular Weight | 312.53 |
| MOL File | 14721-66-5.mol |
Chemical Properties
| Melting point | -65°C |
| Boiling point | 391.36°C (estimate) |
| density | 0.8888 (rough estimate) |
| refractive index | 1.4461 (estimate) |
| storage temp. | 2-8°C |
| solubility | 0.15 M Tris-HCl pH 8.5: >1 mg/ml (from Oleic Acid); DMF: >100 mg/ml (from Oleic Acid); DMSO: >100 mg/ml (from Oleic Acid); Ethanol: >100 mg/ml (from Oleic Acid); PBS pH 7.2: <100 μg/ml (from Oleic Acid) |
| form | Liquid |
| pka | 4.79±0.10(Predicted) |
| color | Colorless to light yellow |
| biological source | synthetic (organic) |
| InChI | 1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22) |
| InChIKey | RLCKHJSFHOZMDR-UHFFFAOYSA-N |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |