3-Phenylpropyl isobutyrate
- Product Name3-Phenylpropyl isobutyrate
- CAS103-58-2
- CBNumberCB0133261
- MFC13H18O2
- MW206.28
- EINECS203-125-0
- MDL NumberMFCD00082227
- MOL File103-58-2.mol
Chemical Properties
| Melting point: | -60 °C |
| Boiling point: | 137 °C/15 mmHg |
| Density | 0.98 |
| refractive index | 1.49 |
| FEMA | 2893 | 3-PHENYLPROPYL ISOBUTYRATE |
| Flash point: | Not applicable |
| solubility | Almost insoluble in water, soluble in alcohol and oils |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | Fruity-balsamic, tenacious, but refreshingly sweet odor |
| biological source | synthetic |
| Odor Type | fruity |
| JECFA Number | 640 |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| InChIKey | VBTAKMZSMFMLGT-UHFFFAOYSA-N |
| SMILES | CC(C)C(=O)OCCCc1ccccc1 |
| LogP | 3.75 |
| CAS DataBase Reference | 103-58-2 |
| EPA Substance Registry System | 3-Phenylpropyl isobutyrate (103-58-2) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| PPE | Eyeshields, Gloves | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | NQ5440000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2915900090 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| NFPA 704: |
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