60113-11-3
| Name | CBDB |
| CAS | 60113-11-3 |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.44 |
| MOL File | 60113-11-3.mol |
Chemical Properties
| Boiling point | 451.7±45.0 °C(Predicted) |
| density | 1.035±0.06 g/cm3(Predicted) |
| solubility | DMF: 50 mg/ml DMSO: 60 mg/ml DMSO: PBS (pH 7.2) (1:3): 0.25 mg/ml Ethanol: 35 mg/ml |
| pka | 9.61±0.45(Predicted) |
| InChI | InChI=1/C20H28O2/c1-5-6-7-15-11-18(21)20(19(22)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-17,21-22H,2,5-9H2,1,3-4H3/t16-,17+/s3 |
| InChIKey | WBRXESQKGXYDOL-XGTFWIOGNA-N |
| SMILES | C([C@@H]1CCC(C)=C[C@H]1C1C(=CC(CCCC)=CC=1O)O)(=C)C |&1:1,7,r| |
Safety Data
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H225-H301+H311+H331-H370 |
| Precautionary statements | P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P310-P321-P330-P303+P361+P353-P304+P340-P307+P311-P312-P361+P364-P370+P378-P403+P233-P403+P235-P405-P501 |
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |