4-(2-Methoxyethyl)phenol (HCID 92516)

이름 및 식별자

우선 이름: 4-(2-Methoxyethyl)phenol
IUPAC: 4-(2-methoxyethyl)phenol
현지명: p-(메톡시에틸)페놀
영어명: p-(2-Methoxyethyl) phenol
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

4-(2-Methoxyethyl)phenolp-(2-Methoxyethyl)phenolPhenol, 4-(2-methoxyethyl)-UNII-PY1W0AKW8I4-Methoxy ethyl phenolPY1W0AKW8I4-(2-methoxyethyl) phenolp-Hydroxyphenethyl methyl etherEINECS 260-354-9DTXSID2073564EC 260-354-9METOPROLOL SUCCINATE IMPURITY B [EP IMPURITY]

이름 더 보기

p-(메톡시에틸)페놀p-(2-메톡시에틸)페놀PHMEMetoprolol Impurityp-(2-Methoxyetyl)phenolThe Methoxy ethyl phenol4-beta-Methoxyethylphenol4-HYDROXYPHENYLETHYL METHYL ETHER4-(2-Methoxyethyl)Phenol (56781-17-9)Metoprolol-2

METOPROLOL TARTRATE IMPURITY B [EP IMPURITY]METOPROLOL TARTRATE IMPURITY B (EP IMPURITY)METOPROLOL SUCCINATE IMPURITY B (EP IMPURITY)RefChem:97067DTXCID6042105FAYGEALAEQKPDI-UHFFFAOYSA-N56718-71-9p-(2-Methoxyethyl) phenol

데이터베이스 식별자

CAS: 56718-71-9
PubChem CID: 92516
DTXSID: DTXSID2073564
ChEMBL: CHEMBL1094369
UNII: PY1W0AKW8I
EC Number: 260-354-9
Nikkaji: J40.673B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 95

물리화학적 성질

녹는점: 42 · 42-45 °C(lit.)
끓는 점: 125 °C · 125 °C / 3mmHg
밀도: 1.06 · 1.060±0.06 g/cm3(Predicted)
증기압: 0.41 Pa · 0.41Pa at 20℃
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 10 · 10.00±0.15(Predicted)
색상: 흰색에서 황백색까지
수용성: 8.42 g/L · 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: 1.79 at · 1.79 at 20℃
EPA: 4 · Phenol, 4-(2-methoxyethyl)- (56718-71-9)

화학적 성질

White Low Melting Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 6.9% (4 of 58) of reports.

Warning

H315 (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 exposure; Respiratory 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.

유해성 정보

Regulatory InformationStatus: Active Update: 15-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13533；Status: Active Update: 12-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7162

Hazard Classes and CategoriesSkin Irrit. 2 (89.7%)；Eye Irrit. 2 (86.2%)；STOT SE 3 (84.5%)

규제 정보

Regulatory InformationStatus: Active Update: 15-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13533；Status: Active Update: 12-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7162

안전 데이터

wgk: 3
HS 번호: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-23289
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요4-(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.

용도4-(2-Methoxyethyl)phenol is an Impurity of Metoprolol.

일반 설명4-(2-Methoxyethyl)phenol can be prepared by reacting methyl vinyl ether and 4-bromonitrobenzene.