5581-75-9
| Name | 6-PHENYLHEXANOIC ACID |
| CAS | 5581-75-9 |
| Molecular Formula | C12H16O2 |
| MDL Number | MFCD00014381 |
| Molecular Weight | 192.25 |
| MOL File | 5581-75-9.mol |
Chemical Properties
| Appearance | White Solid |
| Melting point | 17-19°C |
| Boiling point | 201-202 °C24 mm Hg(lit.) |
| density | 1.022 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | >230 °F |
| storage temp. | Store at room temperature |
| solubility | Difficult to mix. |
| form | Solid |
| pka | 4.78±0.10(Predicted) |
| color | White |
| Water Solubility | 479.8mg/L(30 ºC) |
| BRN | 1950106 |
| InChI | InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14) |
| InChIKey | JTXZPQIXIXYMDY-UHFFFAOYSA-N |
| SMILES | C1(CCCCCC(O)=O)=CC=CC=C1 |
| CAS DataBase Reference | 5581-75-9(CAS DataBase Reference) |
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 |
| Hazard Note | Irritant |
| HS Code | 29163900 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
