ALPHA+BETA-THUJONE
- Product NameALPHA+BETA-THUJONE
- CAS76231-76-0
- CBNumberCB7972560
- MFC10H16O
- MW152.23
- MDL NumberMFCD00135597
- MOL File76231-76-0.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 84-86 °C/17 mmHg (lit.) |
| Density | 0.925 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.455(lit.) |
| Flash point | 64 °C |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly) |
| form | Oil |
| color | Colourless |
| Henry's Law Constant | 6.2×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/2C10H16O/c2*1-6(2)10-4-8(10)7(3)9(11)5-10/h2*6-8H,4-5H2,1-3H3/t7-,8+,10-;7-,8-,10+/m01/s1 |
| InChIKey | AKPBIVZAUPVDMO-APEKEWONSA-N |
| SMILES | CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2.CC(C)[C@@]34C[C@@H]3[C@H](C)C(=O)C4 |
| Toxicology and Carcinogenesis | Toxicology and Carcinogenesis Studies of alpha,beta-Thujone (CASRN 76231-76-0) in F344/N Rats and B6C3F1 Mice (Gavage Studies) |
| FDA UNII | 86HK1QRJ4K |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P264-P270-P301+P312-P501 |
| Hazard Codes | T |
| Risk Statements | 23/24/25-36/37/38-42/43 |
| Safety Statements | 23-26-36/37/39-45 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral |
| Hazardous Substances Data | 76231-76-0(Hazardous Substances Data) |