5949-05-3
| Name | (-)-CITRONELLAL |
| CAS | 5949-05-3 |
| EINECS(EC#) | 227-707-9 |
| Molecular Formula | C10H18O |
| MDL Number | MFCD00075588 |
| Molecular Weight | 154.25 |
| MOL File | 5949-05-3.mol |
Chemical Properties
| Appearance | CLEAR COLOURLESS TO PALE YELLOW LIQUID |
| Boiling point | 227.64°C (estimate) |
| density | 0.851 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 168 °F |
| storage temp. | Hygroscopic, Refrigerator, under inert atmosphere |
| solubility | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Oil |
| color | Colourless |
| Odor | at 10.00 % in dipropylene glycol. clean herbal citrus |
| Odor Type | citrus |
| Optical Rotation | [α]20/D 15°, neat |
| BRN | 1720790 |
| InChI | 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1 |
| InChIKey | NEHNMFOYXAPHSD-JTQLQIEISA-N |
| SMILES | [H]C(=O)C[C@@H](C)CC\C=C(\C)C |
| LogP | 3.482 (est) |
| CAS DataBase Reference | 5949-05-3(CAS DataBase Reference) |
| EPA Substance Registry System | 6-Octenal, 3,7-dimethyl-, (3S)- (5949-05-3) |
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 |
| F | 10-23 |
| TSCA | TSCA listed |
| REACH Registrations | Active |
| HS Code | 29121900 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |