40321-98-0
| Name | mono(2-ethyl-5-oxohexyl)phthalate |
| CAS | 40321-98-0 |
| Molecular Formula | C16H20O5 |
| MDL Number | MFCD01748352 |
| Molecular Weight | 292.33 |
| MOL File | 40321-98-0.mol |
Chemical Properties
| Boiling point | 478.7±30.0 °C(Predicted) |
| density | 1.155±0.06 g/cm3(Predicted) |
| refractive index | n20/D 1.516-1.518 |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Hexanes (Slightly), Methanol (Slightly) |
| form | Oil |
| pka | 3.37±0.36(Predicted) |
| color | Yellow to Brown |
| BRN | 920863 |
| Major Application | cleaning products cosmetics environmental food and beverages personal care |
| InChI | 1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19) |
| InChIKey | HCWNFKHKKHNSSL-UHFFFAOYSA-N |
| SMILES | O=C(OCC(CC)CCC(C)=O)C1=CC=CC=C1C(O)=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P280-P305+P351+P338-P337+P313 |
| WGK Germany | WGK 3 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 |