識別子と物理属性
| CAS No. | 94293-57-9 |
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| 分子式 | C12H20O2S |
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| 平均分子量 | 228.35 g/mol |
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| 単同位体質量 | 228.11840105 g/mol |
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| SMILES | CC(=S)OC(C)(C)[C@@H]1CCC(C)CC1=O |
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| InChIKey | ICHFAYSVCHABJK-LHIURRSHSA-N |
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| PubChem CID | 175606 |
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| EC No. | 304-949-4 |
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化学・物理的性質
| XLogP | 2.5 |
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| 極性表面積 | 58.4 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 3 |
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| 回転可能結合数 | 3 |
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| 重原子数 | 15 |
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| 形式電荷 | 0 |
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| 複雑度 | 271 |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 10.4% (12 of 115) of reports.WarningH315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Chemical: Ethanethioic acid, S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ester |
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| Hazard Classes and Categories | Skin Irrit. 2 (89.6%) |
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![S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate の分子構造式](/img/chemical/175606.png)