識別子と物理属性
| CAS No. | 1565-80-6 |
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| 分子式 | C5H12O |
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| 平均分子量 | 88.15 g/mol |
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| 単同位体質量 | 88.088815 g/mol |
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| SMILES | CC[C@H](C)CO |
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| InChIKey | QPRQEDXDYOZYLA-YFKPBYRVSA-N |
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| PubChem CID | 2723602 |
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| ChEBI | CHEBI:50625 |
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| EC No. | 216-366-1 |
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| DTXSID | DTXSID20883695 |
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化学・物理的性質
| XLogP | 1.2 |
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| 極性表面積 | 20.2 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 1 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 6 |
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| 形式電荷 | 0 |
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| 複雑度 | 27.1 |
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| SpringerMaterials Properties | Density |
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安全性と法規制
| GHS 分類 | WarningH226 (81.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 136 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Chemical: 1-Butanol, 2-methyl-, (S)-1-Butanol, 2-methyl-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard |
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| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| Hazard Classes and Categories | Flam. Liq. 3 (81.6%) |
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