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

名称と識別子

優先名称: 4-(2-Methoxyethyl)phenol
IUPAC: 4-(2-methoxyethyl)phenol
現地名: 4-(2-メトキシエチル)フェノール
英語名: p-(2-Methoxyethyl) phenol
分子式: C9H12O2
分子量: 152.19

名称と別名

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]

名称をさらに表示

4-(2-メトキシエチル)フェノールp-（メトキシエチル）フェノルp－（メトキシエチル）フェノ-ルP-(2-メトキシエチル)フェノール4-(2-メトキシエチル)フェノール, 98%PHMEMetoprolol 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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.9
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 95

物理化学的性質

融点: 42 · 42-45 °C(lit.)
沸点: 125 °C · 125 °C / 3mmHg
比重(密度): 1.06 · 1.060±0.06 g/cm3(Predicted)
蒸気圧: 0.41 Pa · 0.41Pa at 20℃
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 10 · 10.00±0.15(Predicted)
色: 白色～オフホワイト低融点～
水溶解度: 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℃
CAS データベース: 56718 · 56718-71-9(CAS DataBase Reference)
EPAの化学物質情報: 4 · Phenol, 4-(2-methoxyethyl)- (56718-71-9)

化学的性質

化学的特性White Low Melting Solid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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%)

法規制情報

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

安全データ

wgk: 3
hs_code: 29095000
risk_code: 36/37/38
化審法: (3)-3711
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

説明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.

使用4-(2-Methoxyethyl)phenol is an Impurity of Metoprolol.

一般的な説明4-(2-Methoxyethyl)phenol can be prepared by reacting methyl vinyl ether and 4-bromonitrobenzene.