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

Names & identifiers

Preferred name: 4-(2-Methoxyethyl)phenol
IUPAC: 4-(2-methoxyethyl)phenol
English name: p-(2-Methoxyethyl) phenol
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

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]

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 95

Physicochemical properties

Melting point: 42 · 42-45 °C(lit.)
Boiling point: 125 °C · 125 °C / 3mmHg
Density: 1.06 · 1.060±0.06 g/cm3(Predicted)
vapor pressure: 0.41 Pa · 0.41Pa at 20℃
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 10 · 10.00±0.15(Predicted)
color: White to Off-White
Water Solubility: 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 DataBase Reference: 56718 · 56718-71-9(CAS DataBase Reference)
FDA UNII: 1 W0AKW8I · PY1W0AKW8I
EPA Substance Registry System: 4 · Phenol, 4-(2-methoxyethyl)- (56718-71-9)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29095000 · 29095000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

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%)

Regulatory information

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

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29095000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 4 items

Description4-(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.

Uses4-(2-Methoxyethyl)phenol is an Impurity of Metoprolol.

Uses4-(2-Methoxyethyl)phenol may be used in the preparation of methyl analog of metoprolol (MAM).

General Description4-(2-Methoxyethyl)phenol can be prepared by reacting methyl vinyl ether and 4-bromonitrobenzene.