Methyl-(2-hydroxyphenyl)acetat

Methyl (2-hydroxyphenyl)acetate

HCID 89719CAS 22446-37-3

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Grundinformationen

Standard-SMILES: COC(=O)Cc1ccccc1O
InChIKey: BVBSGGBDFJUSIH-UHFFFAOYSA-N
Summenformel: C9H10O3
Durchschnittliche Molmasse: 166,17 g/mol
Monoisotopische Masse: 166,06299418

Überblick

Methyl (2-hydroxyphenyl)acetate is a member of phenols.

Namen und Bezeichner

Bevorzugter Name: Methyl (2-hydroxyphenyl)acetate
IUPAC: methyl 2-(2-hydroxyphenyl)acetate
Lokaler Name: Methyl-(2-hydroxyphenyl)acetat
Englischer Name: (2-HYDROXY-PHENYL)-ACETIC ACID METHYL ESTER
Summenformel: C9H10O3
Molmasse: 166.17

Namen und Synonyme

22446-37-3Methyl (2-hydroxyphenyl)acetateEINECS 245-004-5DTXSID30176989RefChem:811936DTXCID1099480245-004-5Methyl 2-(2-hydroxyphenyl)acetate(2-Hydroxy-phenyl)-acetic acid methyl ester2-Hydroxy-benzeneacetic acid methyl esterBenzeneacetic acid, 2-hydroxy-, methyl estermethyl 2-hydroxyphenylacetate

Weitere Namen anzeigen

Methyl o-hydroxyphenylacetateMethyl 2-hydroxybenzeneacetatevMethyl 2-(2-hydroxyphenyl)acetate2-Hydroxybenzeneacetic acid methyl ester

methyl(2-hydroxyphenyl)acetateMFCD00090077Acetic acid, (o-hydroxyphenyl)-, methyl estero-Hydroxyphenylacetic acid, methyl esterMethyl 2-hydroxyphenyl acetate(2-hydroxyphenyl)acetic acid methyl esterMethyl2-(2-hydroxyphenyl)acetate2-(2-Hydroxyphenyl)acetic Acid Methyl Ester;Methyl (2-Hydroxyphenyl)acetate; Methyl 2-Hydroxybenzeneacetate;Methyl o-Hydroxyphenylacetate;

Datenbank-Bezeichner

CAS: 22446-37-3
PubChem CID: 89719
DTXSID: DTXSID30176989
ChEMBL: CHEMBL450221
ChEBI: CHEBI:180585
EC Number: 245-004-5
Nikkaji: J127.889D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Schmelzpunkt: 122 · 122-124℃
Siedepunkt: 115 · 115-120℃ (0.3 Torr)
Dichte: 1.181 · 1.181±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Solid
pka: 9.55 · 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 und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2916399090

Chemie und Industrie

Anwendungen

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