識別子と物理属性
| CAS No. | 1321-87-5 |
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| 分子式 | C10H18O2 |
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| 平均分子量 | 170.25 g/mol |
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| 単同位体質量 | 170.13067982 g/mol |
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| SMILES | CCC(C)(O)C#CC(C)(O)CC |
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| InChIKey | NUYADIDKTLPDGG-UHFFFAOYSA-N |
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| PubChem CID | 6546 |
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| EC No. | 201-131-8 |
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| DTXSID | DTXSID1041475 |
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化学・物理的性質
| XLogP | 1.2 |
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| 極性表面積 | 40.5 |
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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 | 2 |
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| 回転可能結合数 | 4 |
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| 重原子数 | 12 |
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| 形式電荷 | 0 |
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| 複雑度 | 190 |
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| 化粧品 | SolventEmulsifying |
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| 化粧品成分の機能 | 界面活性剤 - 洗浄界面活性剤 - 乳化剤 |
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安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Chemical: 4-Octyne-3,6-diol, 3,6-dimethyl-4-Octyne-3,6-diol, 3,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Octyne-3,6-diol, 3,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)4-Octyne-3,6-diol, 3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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