識別子と物理属性
| CAS No. | 72894-13-4 |
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| 分子式 | C11H24O2 |
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| 平均分子量 | 188.31 g/mol |
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| 単同位体質量 | 188.17763 g/mol |
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| SMILES | COC(CC(C)CC(C)(C)C)OC |
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| InChIKey | OKMANJUJOSTZGX-UHFFFAOYSA-N |
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| PubChem CID | 166344 |
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| EC No. | 276-964-3 |
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| DTXSID | DTXSID70888231 |
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化学・物理的性質
| XLogP | 3.5 |
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| 極性表面積 | 18.5 |
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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 | 2 |
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| 回転可能結合数 | 6 |
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| 重原子数 | 13 |
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| 形式電荷 | 0 |
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| 複雑度 | 123 |
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安全性と法規制
| GHS 分類 | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| 規制情報 | Hexane, 1,1-dimethoxy-3,5,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
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