Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
p-(메톡시에틸)페놀
p-(메톡시에틸)페놀 · p-(2-메톡시에틸)페놀 · PHME · 4-(2-METHOXYETHYL)PHENOL · P-(2-METHOXYETHYL)PHENOL · Metoprolol Impurity · p-(2-Methoxyetyl)phenol · The Methoxy ethyl phenol
식별자 및 물리적 특성
| CAS No. | 56718-71-9 |
|---|---|
| 분자식 | C9H12O2 |
| 평균 분자량 | 152.19 g/mol |
| 단동위원소 질량 | 152.08372962 g/mol |
| SMILES | COCCc1ccc(O)cc1 |
| InChIKey | FAYGEALAEQKPDI-UHFFFAOYSA-N |
| PubChem CID | 92516 |
| ChEMBL | CHEMBL1094369 |
| EC No. | 260-354-9 |
| DTXSID | DTXSID2073564 |
| 현지명 | p-(메톡시에틸)페놀 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 29.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 95 |
| 녹는점 | 42-45 °C(lit.) |
| 끓는 점 | 125 °C / 3mmHg |
| 밀도 | 1.060±0.06 g/cm3(Predicted) |
| 증기압 | 0.41Pa at 20℃ |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 10.00±0.15(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 8.42g/L at 20℃ |
| InChI | InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3 |
| InChIKey | FAYGEALAEQKPDI-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(CCOC)C=C1 |
| LogP(분배 계수) | 1.79 at 20℃ |
| EPA | Phenol, 4-(2-methoxyethyl)- (56718-71-9) |
화학적 성질
White Low Melting Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.9% (4 of 58) of reports.WarningH315 (89.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (84.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 58 reports by companies.There are 11 notifications provided by 54 of 58 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Status: Active Update: 15-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13533Status: Active Update: 12-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7162 |
| Hazard Classes and Categories | Skin Irrit. 2 (89.7%)Eye Irrit. 2 (86.2%)STOT SE 3 (84.5%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29095000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-23289 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
용도
개요
4-(2-Methoxyethyl)phenol (also known as p-(2-Methoxyethyl)phenol) is the starting material for the synthesis of metoprolol tartrate. Metoprolol tartrate is a selective β₁-blocker used in the treatment of various cardiovascular conditions, particularly hypertension.
용도
4-(2-Methoxyethyl)phenol is an Impurity of Metoprolol.
일반 설명
4-(2-Methoxyethyl)phenol can be prepared by reacting methyl vinyl ether and 4-bromonitrobenzene.