Cis-3,3,5-Trimethylcyclohexanol 顺-3,3,5-三甲基环己醇
CAS 933-48-2 MFCD00070479
化学结构图
SMILES: C[C@H]1C[C@@H](O)CC(C)(C)C1
化学属性
| Mol. Formula | C9H18O |
|---|---|
| Mol. Weight | 142.24 |
| Melting Point | 35-38 °C |
| Boiling Point | 196.5 °C at 760 mmHg |
别名和识别编码
| Chemical Name | Cis-3,3,5-Trimethylcyclohexanol |
|---|---|
| MDL Number | MFCD00070479 |
| CAS Number | 933-48-2 |
| Chemical Name Translation | 顺-3,3,5-三甲基环己醇 |
| Reaxys-RN | 2322211 |
| Beilstein Registry Number | 6(4)135 |
| PubChem Substance ID | 101921 |
| Synonym | Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {} {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclohexan-1-ol, cis {} {} {} {} {} {} {} {} {} {} {} {} {LY} Rac-(1r,5r)-3,3,5-trimethylcyclo |
| Wiswesser Line Notation | L6TJ A1 A1 CQ E1 cis |
| LabNetwork Molecule ID | LN01746509 |
| InChI | InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1 |
| Canonical SMILES | C[C@@H]1C[C@@H](CC(C)(C)C1)O |
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安全信息
GHS Symbol
- H303 May be harmfully swallowed 吞食可能有害
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P332+P313
- P302+P352+P332+P313+P362+P364
- P302+P350
- P305+P351+P338+P310
- P305+P351+P338
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GWXXAW German Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2757641
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