2-Phenylpropyl isobutyrate
- Product Name2-Phenylpropyl isobutyrate
- CAS65813-53-8
- CBNumberCB4373522
- MFC13H18O2
- MW206.28
- EINECS265-931-9
- MDL NumberMFCD00008915
- MOL File65813-53-8.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 305.14°C (rough estimate) |
| Density | 0.973 g/mL at 25 °C (lit.) |
| FEMA | 2892 | 2-PHENYLPROPYL ISOBUTYRATE |
| refractive index | n |
| FLAVIS Number | 09.485 | 2-Phenylpropyl isobutyrate |
| Flash point | >230 °F |
| color | Colourless liquid. |
| Odor | at 100.00 %. fruity floral mango pineapple papaya mango tropical |
| Odor Type | floral |
| biological source | synthetic |
| Water Solubility | Insoluble in water, soluble in alcohol and oils. |
| JECFA Number | 1470 |
| Major Application | flavors and fragrances |
| InChI | 1S/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey | LZTCJUAHYXNKRE-UHFFFAOYSA-N |
| SMILES | CC(C)C(=O)OCC(C)c1ccccc1 |
| LogP | 3.53 |
| Substances Added to Food (formerly EAFUS) | 2-PHENYLPROPYL ISOBUTYRATE |
Safety
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| NFPA 704: |
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