13215-88-8
| Name | Tabanone |
| CAS | 13215-88-8 |
| EINECS(EC#) | 236-187-2 |
| Molecular Formula | C13H18O |
| MDL Number | MFCD09751414 |
| Molecular Weight | 190.28 |
| MOL File | 13215-88-8.mol |
Chemical Properties
| Boiling point | 289°C |
| density | 0.968 |
| vapor pressure | 11Pa at 25℃ |
| FEMA | 4663 | 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE |
| Fp | 124.8°C |
| storage temp. | 2-8°C |
| solubility | DMSO: Soluble: =10 mg/ml Ethanol: Soluble: =10 mg/ml Methanol: Slightly Soluble: 0.1-1 mg/ml |
| Odor | at 100.00 %. sweet acorn nut skin tobacco spicy |
| Odor Type | tobacco |
| Water Solubility | 361mg/L at 20℃ |
| JECFA Number | 2057 |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | CBQXHTWJSZXYSK-UHFFFAOYSA-N |
| SMILES | C1(=O)CC(C)(C)C(=CC=CC)C(C)=C1 |
| LogP | 3.11 at 22.7℃ |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H317-H412-H315-H302 |
| Precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362 |