3-Methoxyphenol

HCID 9007CAS 150-19-6
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Grundinformationen

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

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

Physikochemische Eigenschaften

Schmelzpunkt
-17 °C · -17 °C
Siedepunkt
113 · 113-115 °C/5 mmHg (lit.)
Dichte
1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.552(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

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 · 1 Eintrag

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 DataLC50 (rat) = 11,500 mg/m3/4hr

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2810 6.1/PG 3
hs_code
29095090
RTECS-Nr.
SL7524000
risk_code
20/21/22-36/38-41-36/37/38-43-36-22

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 · 1 Eintrag

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

Anbieter50 Anbieter

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爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 3-methoxyphenol is a member of the class of phenols that is phenol having a methoxy-substituent at the 3-position. It is a member of phenols and a monomethoxybenzene. It derives from a resorcinol.

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