識別子と物理属性
| CAS No. | 120659-38-3 |
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| 分子式 | C8H16O3 |
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| 平均分子量 | 160.21 g/mol |
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| 単同位体質量 | 160.10994437 g/mol |
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| SMILES | CCCCCC(O)CC(=O)O |
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| InChIKey | NDPLAKGOSZHTPH-UHFFFAOYSA-N |
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| PubChem CID | 26613 |
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| ChEMBL | CHEMBL6173005 |
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| ChEBI | CHEBI:37098 |
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| EC No. | 872-032-0 |
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| DTXSID | DTXSID00864487 |
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化学・物理的性質
| XLogP | 1.4 |
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| 極性表面積 | 57.5 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 3 |
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| 回転可能結合数 | 6 |
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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 | 112 |
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| 化粧品成分の機能 | スキンコンディショニング - その他 |
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安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 | Chemical: Octanoic acid, 3-hydroxy- |
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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 | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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