3-N-Butylphthalide
- Product Name3-N-Butylphthalide
- CAS6066-49-5
- MFC12H14O2
- MW190.24
- EINECS228-000-8
- MOL File6066-49-5.mol
Chemical Properties
| Boiling point | 265.75°C (rough estimate) |
| Density | 1.0527 (rough estimate) |
| refractive index | 1.5197 (estimate) |
| FEMA | 3334 | 3-N-BUTYLPHTHALIDE |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | Chloroform (Slightly), Methanol (Slightly); Almost insoluble in water, soluble in alcohol and oils. |
| form | Oil |
| color | Colourless to Yellow |
| Odor | at 10.00 % in dipropylene glycol. herbal phenolic celery |
| Odor Type | herbal |
| JECFA Number | 1169 |
| Stability | Hygroscopic |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 |
| InChIKey | HJXMNVQARNZTEE-UHFFFAOYSA-N |
| SMILES | O=C1C2=CC=CC=C2C(CCCC)O1 |
| LogP | 2.80 |
Safety Information
| WGK Germany | WGK 3 |
| TSCA | TSCA listed |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
