Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Diethyl phosphate
DIETHYL HYDROGEN PHOSPHATE · IETHYLPHOSPHATE · di-ethylphosphat · Diethyl phosphate · ETHYLACIDPHOSPHATE · O,O-DIETHYLPHOSPHATE · diethylacidphosphate · diethylphosphoricacid
식별자 및 물리적 특성
| CAS No. | 51501-07-6 |
|---|---|
| 분자식 | C4H11O4P |
| 평균 분자량 | 154.1 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | -0.3 |
|---|---|
| 극성 표면적 | 55.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 103 |
| 물질 분류 | 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] |
| 녹는점 | 6 °C |
| 끓는 점 | 203 °C |
| 밀도 | 1.29 |
| 굴절률 | 1.4170 |
| 인화점 | 91 °C |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 1.42±0.50(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 무색~연황색~주황색 |
| 안정성 | 수분에 민감한 |
| 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 | Phosphoric acid, diethyl ester (598-02-7) |
화학적 성질
clear colorless to light yellow-orange liquid
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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) |
| 유해성 요약 | An irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (56%) |
| 독성 요약 | 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 등재 상태 | TSCA listed |
| RTECS 번호 | TC0665000 |
| 관세 코드 | 29199000 |
| 위험 문구(R) | 36/37/38-39/23/24/25-23/24/25-11 |
| 위험 표시 | Xi,T,F |
| 안전 문구(S) | 37/39-26-36-45-36/37-16-7 |
| 기존화학 물질 | KE-10510 |