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

Namen und Bezeichner

Bevorzugter Name: 4-(2-Methoxyethyl)phenol
IUPAC: 4-(2-methoxyethyl)phenol
Lokaler Name: p-(2-Methoxyethyl)phenol
Englischer Name: p-(2-Methoxyethyl) phenol
Summenformel: C9H12O2
Molmasse: 152.19

Namen und Synonyme

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]

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 95

Physikochemische Eigenschaften

Schmelzpunkt: 42 · 42-45 °C(lit.)
Siedepunkt: 125 °C · 125 °C / 3mmHg
Dichte: 1.06 · 1.060±0.06 g/cm3(Predicted)
Dampfdruck: 0.41 Pa · 0.41Pa at 20℃
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 10 · 10.00±0.15(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: 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 Datenbank: 56718 · 56718-71-9(CAS DataBase Reference)
EPA chemische Informationen: 4 · Phenol, 4-(2-methoxyethyl)- (56718-71-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

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%)

Regulatorische Informationen

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

Sicherheitsdaten

wgk: 3
hs_code: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-(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.

Verwenden4-(2-Methoxyethyl)phenol is an Impurity of Metoprolol.