3-Methoxyphenol
Grundinformationen
- CAS
150-19-6- Standard-SMILES
COc1cccc(O)c1- InChIKey
ASHGTJPOSUFTGB-UHFFFAOYSA-N- Summenformel
- C7H8O2
- Durchschnittliche Molmasse
- 124,14 g/mol
- Monoisotopische Masse
- 124,0524295
Überblick
3-methoxyphenol is a member of the class of phenols that is phenol having a methoxy-substituent at the 3-position. It is a monomethoxybenzene and a member of phenols. It is functionally related to a resorcinol.
Namen und Bezeichner
- Bevorzugter Name
- 3-Methoxyphenol
- IUPAC
- 3-methoxyphenol
- Lokaler Name
- 3-Methoxyphenol
- Englischer Name
- 3-Methoxyphenol
- Summenformel
- C7H8O2
- Molmasse
- 124.14
Namen und Synonyme
3-METHOXYPHENOL150-19-6m-Methoxyphenol3-HydroxyanisolePhenol, 3-methoxy-m-Hydroxyanisolem-GuaiacolResorcinol monomethyl ether1-Hydroxy-3-methoxybenzeneResorcinol methyl etherPhenol, m-methoxy-DTXSID0022012
Weitere Namen anzeigen
NSC 21735m-Methoxyphelmeta-guaiacol3-MethxoyphenolM-Hydroxyanisolm-methoxy-pheno
ORISTAR HOAHXB7441U87NSC-21735DTXCID302012CHEBI:52678RefChem:94655205-754-63-(methyloxy)phenol
Datenbank-Bezeichner
- CAS
150-19-6- PubChem CID
- 9007
- DTXSID
DTXSID0022012- ChEMBL
CHEMBL57891- ChEBI
CHEBI:52678- UNII
- HXB7441U87
- EC Number
- 205-754-6
- Nikkaji
- J2.030C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 83
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.52
Flavoring AgentsEU Flavoring substances
Boiling Point471.2 °F
Melting Point<1.4 °F
Vapor Density1.131
Physical DescriptionAmber liquid with a sweet phenolic odor; [OSHA] Clear dark red liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -17 °C · -17 °C
- Siedepunkt
- 113 · 113-115 °C/5 mmHg (lit.)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 3-methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Methoxyphenol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A severe eye irritant; Causes flaccid paralysis without anesthesia, tremor, and muscle contraction or spasticity in oral lethal-dose studies of mice and rats; Causes liver and kidney changes and degenerative changes to brain in repeated-dose inhalation studies of guinea pigs; Human inhalation of 0.230 mg/m3 causes muscle weakness, headache, and irritability; [RTECS] A skin, eye, and mucous membrane irritant; Reportedly causes changes or disorders in menstrual cycles; [OSHA] An irritant that may cause serious eye injury; Harmful by ingestion and inhalation; Toxic by skin absorption; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (98.3%)
Toxikologische Informationen
Toxicity Data
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a flavoring agent; [EFSA] Methoxyphenols are used to make antioxidants and pharmaceuticals; [OSHA]
General Manufacturing InformationPhenol, 3-methoxy-: ACTIVE
Anwendungen
VerwendenA phenol derivative, 3-Methoxyphenol can be used as catalysts and as building blocks in synthesis of organic compounds such as antioxidants.
Darstellung
synthetischesynthesis of 3-methoxyphenol: The 1 mole of resorcinol is treated rapidly with stirring, in a three-necked flask provided with a reflux condenser, stirrer, internal thermometer, and dropping funnel, with 1.25 mole of 10% sodium hydroxide. With vigorous stirring, 1 mole of dimethyl sulfate is added in such a way that the temperature remains below 40° C (water cooling). To complete the reaction and to destroy unchanged dimethyl sulfate, the mixture is then heated for 30 min on a boiling water bath. After cooling, the organic layer is separated off and the aqueous solution is extracted several times with ether. The combined organic phases are washed with dilute sodium carbonate and then with water, dried with calcium chloride, and fractionated. Unchanged resorcinol can be recovered by acidifying the aqueous reaction solution and the wash water and extracting them with ether. The yield of 3-methoxyphenol is 50%, b.p. 113-115 °C/5 mm; b.p. 144°C/25mm; n20/D 1.552; d=1.131 g/mL at 25 °C. Organicum. Practical Handbook of Organic Chemistry, by Heinz Becker, Werner Berger and Günter Domschke, Addison-Wesley Pub. Co, 206-207, (1973)
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
283
Notizen zur Verbindung
Wird geladen…