識別子と物理属性
| CAS No. | 1335-42-8 |
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| 分子式 | C10H12O |
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| 平均分子量 | 148.2 g/mol |
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| 単同位体質量 | 148.088815 g/mol |
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| SMILES | CC(=O)c1cc(C)cc(C)c1 |
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| InChIKey | BKIHFZLJJUNKMZ-UHFFFAOYSA-N |
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| PubChem CID | 14921 |
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| ChEMBL | CHEMBL558696 |
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| EC No. | 215-632-4 |
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| DTXSID | DTXSID80928152 |
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化学・物理的性質
| XLogP | 2.4 |
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| 極性表面積 | 17.1 |
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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 | 1 |
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| 回転可能結合数 | 1 |
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| 重原子数 | 11 |
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| 形式電荷 | 0 |
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| 複雑度 | 141 |
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| 化粧品成分の機能 | 香料 |
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| LogP（分配係数） | 1.914 (est) |
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| EPAの化学物質情報 | Ethanone, 1-(dimethylphenyl)- (1335-42-8) |
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安全性と法規制
| GHS 分類 | WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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: Ethanone, 1-(dimethylphenyl)- |
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| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
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| TSCA 収載状態 | TSCA listed |
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