Methyl-(2-hydroxyphenyl)acetat

Methyl 2-(2-hydroxyphenyl)acetate · Einecs 245-004-5 · Methyl o-hydroxyphenylacetate · METHYL 2-HYDROXYPHENYL ACETATE · Methyl 2-hydroxybenzeneacetate · vMethyl 2-(2-hydroxyphenyl)acetate · 2-Hydroxybenzeneacetic acid methyl ester · (2-HYDROXY-PHENYL)-ACETIC ACID METHYL ESTER

https://huagongshe.com/de/chemical/89719

Molekülstruktur von Methyl-(2-hydroxyphenyl)acetat

Identifikatoren & physikalische Daten

CAS No.	22446-37-3
Summenformel	C9H10O3
Durchschnittliche Molmasse	166,17 g/mol
Monoisotopische Masse	166,06299418 g/mol
SMILES	COC(=O)Cc1ccccc1O
InChIKey	BVBSGGBDFJUSIH-UHFFFAOYSA-N
PubChem CID	89719
ChEMBL	CHEMBL450221
ChEBI	CHEBI:180585
EC No.	245-004-5
DTXSID	DTXSID30176989
Lokaler Name	Methyl-(2-hydroxyphenyl)acetat

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	156
Schmelzpunkt	122-124℃
Siedepunkt	115-120℃ (0.3 Torr)
Dichte	1.181±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	Chloroform, Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	9.55±0.30(Predicted)
Farbe	Off-White to Light Brown
InChI	InChI=1S/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3
InChIKey	BVBSGGBDFJUSIH-UHFFFAOYSA-N
SMILES	C1(CC(OC)=O)=CC=CC=C1O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2916399090

Anwendungen & Verwendung

Verwenden

Methyl 2-(2-Hydroxyphenyl)acetate is used as a reactant in the preparation of caffeic acid phenylethyl esters as antiproliferative agents.