5-Methylhexanoic acid
- Product Name5-Methylhexanoic acid
- CAS628-46-6
- MFC7H14O2
- MW130.18
- EINECS
- MOL File628-46-6.mol
Chemical Properties
| Melting point | -55.77°C (estimate) |
| Boiling point | 216°C |
| Density | 0,91 g/cm3 |
| FEMA | 3572 | 5-METHYLHEXANOIC ACID |
| refractive index | 1.4220 |
| Flash point | >100°C |
| form | liquid |
| pka | 4.78±0.10(Predicted) |
| Odor | at 10.00 % in propylene glycol. fatty cheese oily fruity |
| Odor Type | fatty |
| Water Solubility | Slightly soluble in water. |
| JECFA Number | 266 |
| InChI | 1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChIKey | MHPUGCYGQWGLJL-UHFFFAOYSA-N |
| SMILES | CC(C)CCCC(O)=O |
| LogP | 2.19 |
| CAS DataBase Reference | 628-46-6(CAS DataBase Reference) |
| EPA Substance Registry System | Hexanoic acid, 5-methyl- (628-46-6) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 34-41 |
| Safety Statements | 26-36/37/39 |
| RIDADR | 3265 |
| WGK Germany | WGK 3 |
| RTECS | MO8400900 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 2915907098 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Dam. 1 |
