3-Benzyl-4-heptanone
- Product Name3-Benzyl-4-heptanone
- CAS7492-37-7
- MFC14H20O
- MW204.31
- EINECS231-317-4
- MOL File7492-37-7.mol
Chemical Properties
| Boiling point | 302.82°C (rough estimate) |
| Density | 0.9463 (rough estimate) |
| refractive index | 1.5397 (estimate) |
| FEMA | 2146 | 3-BENZYL-4-HEPTANONE |
| Odor | at 100.00 %. fruity berry dried fruit herbal aldehydic minty plum raisin fig woody |
| Odor Type | fruity |
| JECFA Number | 830 |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3 |
| InChIKey | CGTCWTIGDNJZOX-UHFFFAOYSA-N |
| SMILES | O=C(C(CC)Cc1ccccc1)CCC |
| LogP | 3.61 |
| EPA Substance Registry System | 4-Heptanone, 3-(phenylmethyl)- (7492-37-7) |
Safety Information
| WGK Germany | WGK 3 |
| TSCA | TSCA listed |
| HS Code | 2914399000 |
| Storage Class | 10 - Combustible liquids |
| Toxicity | LD50 orl-rat: 4400 mg/kg JACTDZ 1,2,90 |