識別子と物理属性
| CAS No. | 1331-11-9 |
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| 分子式 | C5H10O3 |
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| 平均分子量 | 118.13 g/mol |
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| 単同位体質量 | 118.06299418 g/mol |
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| SMILES | CCOCCC(=O)O |
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| InChIKey | JRXXEXVXTFEBIY-UHFFFAOYSA-N |
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| PubChem CID | 61351 |
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| EC No. | 224-357-9 |
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| DTXSID | DTXSID70863366 |
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| 現地名 | ３－エトキシプロピオン酸 |
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化学・物理的性質
| XLogP | -0.1 |
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| 極性表面積 | 46.5 |
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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 | 3 |
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| 回転可能結合数 | 4 |
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| 重原子数 | 8 |
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| 形式電荷 | 0 |
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| 複雑度 | 70.1 |
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| 融点 | -10.7°C |
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| 沸点 | 160.67°C (rough estimate) |
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| 密度 | 1.0889 (rough estimate) |
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| 屈折率 | 1.4056 (estimate) |
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安全性と法規制
| GHS 分類 | DangerH318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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| 規制情報 | Propanoic acid, 3-ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Eye Dam. 1 (100%)Skin Irrit. 2 (100%) |
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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 H318 |
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