标识与物理属性
| CAS No. | 33711-43-2 |
|---|
| 分子式 | C14H24O |
|---|
| 平均分子量 | 208.34 g/mol |
|---|
| 单同位素质量 | 208.18271539 g/mol |
|---|
| SMILES | CC1C(C)(C)C2=C(C(O)CCC2)C1(C)C |
|---|
| InChIKey | TYCUOMHJQBSOBZ-UHFFFAOYSA-N |
|---|
| PubChem CID | 14817841 |
|---|
| EC No. | 801-670-4 |
|---|
| DTXSID | DTXSID00564374 |
|---|
化学与物理性质
| XLogP | 2.9 |
|---|
| 极性表面积 | 20.2 |
|---|
| 氢键供体 | 1 |
|---|
| 氢键受体 | 1 |
|---|
| 可旋转键 | 0 |
|---|
| 重原子 | 15 |
|---|
| 形式电荷 | 0 |
|---|
| 复杂度 | 309 |
|---|
安全与法规
| GHS 分类 | WarningH373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P273, P319, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | STOT RE 2 (100%) |
|---|
