591-68-4
| Name | BUTYL VALERATE |
| CAS | 591-68-4 |
| EINECS(EC#) | 209-728-5 |
| Molecular Formula | C9H18O2 |
| MDL Number | MFCD00015258 |
| Molecular Weight | 158.24 |
| MOL File | 591-68-4.mol |
Chemical Properties
| Melting point | -92.8°C |
| Boiling point | 186-187 °C (lit.) |
| density | 0.868 g/mL at 25 °C(lit.) |
| FEMA | 2217 |
| refractive index | n |
| Fp | 152 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 10.00 % in dipropylene glycol. sweet fruity pineapple green raspberry tropical |
| biological source | synthetic |
| Odor Type | fruity |
| Water Solubility | 83.87mg/L(25 ºC) |
| JECFA Number | 160 |
| Henry's Law Constant | 9.8×10-3 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) |
| Major Application | flavors and fragrances |
| InChI | 1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | OKJADYKTJJGKDX-UHFFFAOYSA-N |
| SMILES | CCCCOC(=O)CCCC |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2915600000 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |