Methyl 4-hydroxy-2-methoxybenzoate

HCID 12532676

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Grundinformationen

CAS: 28478-46-8
Standard-SMILES: COC(=O)c1ccc(O)cc1OC
InChIKey: KCWJRQPHPPKPBK-UHFFFAOYSA-N
Summenformel: C9H10O4
Durchschnittliche Molmasse: 182,17 g/mol
Monoisotopische Masse: 182,0579088

Überblick

Methyl 4-hydroxy-2-methoxybenzoate has been reported in Schnella guianensis with data available.

Namen und Bezeichner

Bevorzugter Name: Methyl 4-hydroxy-2-methoxybenzoate
IUPAC: methyl 4-hydroxy-2-methoxybenzoate
Englischer Name: 4-HYDROXY-2-METHOXY-BENZOIC ACID METHYL ESTER
Summenformel: C9H10O4
Molmasse: 182.18

Namen und Synonyme

Methyl 4-hydroxy-2-methoxybenzoate28478-46-8Benzoic acid, 4-hydroxy-2-methoxy-, methyl esterDTXSID70501559RefChem:816453DTXCID60452369804-980-84-Hydroxy-2-methoxy-benzoic acid methyl esterMFCD062038154-hydroxy-2-methoxybenzoic acid methyl esterMethyl4-hydroxy-2-methoxybenzoatemethyl 4-hydroxy-2-methoxy-benzoate

Weitere Namen anzeigen

4-Hydroxy-2-Methoxy-BenzoicacMethyl 4-hydroxy-o-anisate

4-HYDROXY-2-METHOXY-BENZOICACIDMETHYLESTERSCHEMBL3228954-HYDROXY-2-METHOXY-BECHEMBL2252250KCWJRQPHPPKPBK-UHFFFAOYSA-NMethyl 2-methoxy-4-hydroxybenzoateDBA47846AKOS006294725

Datenbank-Bezeichner

CAS: 28478-46-8
PubChem CID: 12532676
DTXSID: DTXSID70501559
ChEMBL: CHEMBL2252250
EC Number: 804-980-8
Nikkaji: J2.084.275J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 180

Physikochemische Eigenschaften

Schmelzpunkt: 150 · 150-151℃
storage temp.: Inert atmosphere,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

hs_code: 2918999090

Chemie und Industrie

Anwendungen

VerwendenMethyl 4-Hydroxy-2-methoxybenzoate is a reagent used in the synthesis of sphingosine-1-phosphate receptor agonist Ceralifimod used in the treatment of autoimmune diseases.