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グルタル酸無水物
グルタル酸無水物 · 無水グルタル酸 · ペンタン二酸無水物 · 3,4-ジヒドロ-2H-ピラン-2,6(5H)-ジオン · テトラヒドロ-2H-ピラン-2,6-ジオン · ジヒドロ-2H-ピラン-2,6(5H)-ジオン · ジヒドロ-2H-ピラン-2,6(3H)-ジオン · 無水グルタル酸, 98%
識別子と物理属性
| CAS No. | 108-55-4 |
|---|---|
| 分子式 | C5H6O3 |
| 平均分子量 | 114.1 g/mol |
| 単同位体質量 | 114.03169405 g/mol |
| SMILES | O=C1CCCC(=O)O1 |
| InChIKey | VANNPISTIUFMLH-UHFFFAOYSA-N |
| PubChem CID | 7940 |
| ChEMBL | CHEMBL3188341 |
| ChEBI | CHEBI:167482 |
| EC No. | 203-593-6 |
| DTXSID | DTXSID5044362 |
| 現地名 | グルタル酸無水物 |
化学・物理的性質
| XLogP | -0.1 |
|---|---|
| 極性表面積 | 43.4 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 114 |
| Polymers | Plastics & Rubber -> Acid Anhydrides, Cyclic |
| SpringerMaterials Properties | Boiling point |
| Physical Description | CBIDry PowderOff-white flakes or crystals[Alfa Aesar MSDS] |
| 融点 | 50-55 °C (lit.) |
| 沸点 | 150 °C/10 mmHg (lit.) |
| 密度 | 1,411 g/cm3 |
| 蒸気圧 | 0.05 hPa (50 °C) |
| 屈折率 | 1.4630 (estimate) |
| 引火点 | >230 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | クロロホルム、酢酸エチル加水分解 |
| 外観・状態 | 結晶性粉末または結晶 |
| 色 | ホワイトからオフホワイト |
| BRN | 110051 |
| InChI | 1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2 |
| InChIKey | VANNPISTIUFMLH-UHFFFAOYSA-N |
| SMILES | O=C1CCCC(=O)O1 |
| CAS データベース | 108-55-4(CAS DataBase Reference) |
| NISTの化学物質情報 | 2H-Pyran-2,6(3H)-dione, dihydro-(108-55-4) |
| EPAの化学物質情報 | 2H-Pyran-2,6(3H)-dione, dihydro- (108-55-4) |
化学的特性
beige to light brown crystalline powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 270) of reports.DangerH302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 270 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 2H-Pyran-2,6(3H)-dione, dihydro-2H-Pyran-2,6(3H)-dione, dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2,6(3H)-dione, dihydro- 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)Status: Active Update: 27-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11130Glutaric anhydride: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Causes somnolence, necrotic gastrointestinal changes, and diffuse hepatitis in oral lethal-dose studies of rats[RTECS] An irritant that may cause serious eye injuryToxic by ingestion and skin absorption[Alfa Aesar MSDS] See Acid Anhydrides. |
| Hazard Classes and Categories | Acute Tox. 4 (98.5%) |
| 有害作用 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| F | 2-21 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | MA3850000 |
| 輸送番号（UN） | 3261 |
| 税関コード | 29171990 |
| 危険文句（R） | 21/22-37/38-41-36/37/38-20/21/22 |
用途
用途
有機合成原料。