識別子と物理属性
| CAS No. | 563-79-1 |
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| 分子式 | C6H12 |
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| 平均分子量 | 84.16 g/mol |
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| 単同位体質量 | 84.09390038 g/mol |
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| SMILES | CC(C)=C(C)C |
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| InChIKey | WGLLSSPDPJPLOR-UHFFFAOYSA-N |
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| PubChem CID | 11250 |
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| EC No. | 209-263-8 |
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| DTXSID | DTXSID2060339 |
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化学・物理的性質
| XLogP | 2.9 |
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| 極性表面積 | 0 |
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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 | 0 |
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| 回転可能結合数 | 0 |
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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 | 50.1 |
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| 物質分類 | Other Classes -> Aliphatics, UnsaturatedFlammable agents - 3rd degree |
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| SpringerMaterials Properties | Schoenflies notation |
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| 蒸気圧 | 126.0 [mmHg] |
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| Physical Description | Liquid[Aldrich MSDS] |
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| 融点 | -74.6 °C |
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| 沸点 | 73.3 °C |
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| 密度 | 0.7075 g/cm3 |
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安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Chemical: 2-Butene, 2,3-dimethyl-Status: Active Update: 23-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/237322,3-Dimethyl-2-butene: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| 有害性の概要 | May cause irritationHarmful by ingestion (may cause lung damage by aspiration)[Aldrich MSDS] See, 3-Methyl-1-butene. |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%)Flammable agents - 3rd degree, Reactive agents - 1st degree |
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| 有害作用 | Neurotoxin - Acute solvent syndrome |
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| 注意喚起語 | 危険 |
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| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H225 |
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