化工社化工社 化学情報印刷レポート · 研究参考用
りん酸O,O-ジエチル
りん酸O,O-ジエチル · りん酸ジエチル · りん酸水素ジエチル · ジエチルホスファート · ジエチルりん酸 (100 ΜG/ML IN MEOH) · りん酸ジエチル (MONO- & DI-) , 100 UG/ML IN MEOH · ジエチルりん酸, 100 µg/mL in MeOH · りん酸ジエチル (mono- & di-), 100 µg/mL in Methanol
識別子と物理属性
| CAS No. | 51501-07-6 |
|---|---|
| 分子式 | C4H11O4P |
| 平均分子量 | 154.1 g/mol |
| 単同位体質量 | 154.03949546 g/mol |
| SMILES | CCOP(=O)(O)OCC |
| InChIKey | UCQFCFPECQILOL-UHFFFAOYSA-N |
| PubChem CID | 654 |
| ChEMBL | CHEMBL1232324 |
| ChEBI | CHEBI:27708 |
| EC No. | 209-912-5 |
| DTXSID | DTXSID1044699 |
| 現地名 | りん酸O,O-ジエチル |
化学・物理的性質
| XLogP | -0.3 |
|---|---|
| 極性表面積 | 55.8 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 4 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 103 |
| 物質分類 | Other Classes -> Organophosphates, OtherOrganophosphate diesters (OPDE) |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | LiquidColorless clear liquid[MSDSonline]Solid |
| Collision Cross Section | 129.2 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1044699] |
| 融点 | 6 °C |
| 沸点 | 203 °C |
| 密度 | 1.29 |
| 屈折率 | 1.4170 |
| 引火点 | 91 °C |
| 貯蔵条件 | Sealed in dry,2-8°C |
| 溶解度 | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa（酸解離定数） | 1.42±0.50(Predicted) |
| 外観・状態 | 液体 |
| 色 | 無色透明～淡黄橙色 |
| 安定性 | Moisture Sensitive |
| InChI | InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6) |
| InChIKey | UCQFCFPECQILOL-UHFFFAOYSA-N |
| SMILES | P(O)(OCC)(OCC)=O |
| EPAの化学物質情報 | Phosphoric acid, diethyl ester (598-02-7) |
化学的特性
clear colorless to light yellow-orange liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.WarningH315 (56%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 84 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Hazard Traits - Developmental ToxicityNeurotoxicityPhosphoric acid, diethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diethyl ester 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) |
| 有害性の概要 | An irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (56%) |
| 毒性の概要 | S-Ethylisothiouronium diethylphosphate is a specific inhibitor of inducible NO synthase on hepatic NO production level. S-Ethylisothiouronium diethylphosphate affects systemic hemodynamic indices in the following way: the peripheral vascular resistance increases, the stroke volume and central blood volume increase, and the work of the left ventricle improves. (Wikipedia) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | TC0665000 |
| 税関コード | 29199000 |
| 危険文句（R） | 36/37/38-39/23/24/25-23/24/25-11 |
| 危険表示 | Xi,T,F |
| 安全措置（S） | 37/39-26-36-45-36/37-16-7 |