Methyl-4-hydroxyphenylacetat

Benzeneacetic acid, 4-hydroxy-, methyl ester

HCID 518900
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Grundinformationen

CAS
14199-15-6
Standard-SMILES
COC(=O)Cc1ccc(O)cc1
InChIKey
XGDZEDRBLVIUMX-UHFFFAOYSA-N
Summenformel
C9H10O3
Durchschnittliche Molmasse
166,17 g/mol
Monoisotopische Masse
166,06299418

Überblick

Methyl 2-(4-hydroxyphenyl)acetate is a methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum. It has a role as a Penicillium metabolite. It is a methyl ester and a member of phenols. It is functionally related to a 4-hydroxyphenylacetic acid.

Namen und Bezeichner

Bevorzugter Name
Benzeneacetic acid, 4-hydroxy-, methyl ester
IUPAC
methyl 2-(4-hydroxyphenyl)acetate
Lokaler Name
Methyl-4-hydroxyphenylacetat
Englischer Name
Methyl 4-hydroxyphenylacetate
Summenformel
C9H10O3
Molmasse
166.17

Namen und Synonyme

Methyl 4-hydroxyphenylacetateBenzeneacetic acid, 4-hydroxy-, methyl esterMethyl (4-hydroxyphenyl)acetateEINECS 238-050-2AI3-36062DTXSID0065725RefChem:562869DTXCID4034605238-050-214199-15-6methyl 2-(4-hydroxyphenyl)acetate4-Hydroxyphenylacetic acid methyl ester
Weitere Namen anzeigen
Atenolol Impurity 13METHYL P-HYDROXYPHENYL ACETATEMethyl4-Hydroxyphenylacetate>Methyl 4-hydroxyphenylacetate 99%Methyl 4-hydroxyphenylacetate,99%
MFCD000023874-Hydroxyphenylacetic acid methl esterp-Hydroxyphenylacetic acid methyl ester4-hydroxybenzeneacetic acid methyl ester(4-hydroxyphenyl)acetic acid methyl esterAcetic acid, (p-hydroxyphenyl)-, methyl estermethyl p-hydroxyphenylacetatemethyl 4-hydroxyphenylethanoate

Datenbank-Bezeichner

CAS
14199-15-6
PubChem CID
518900
DTXSID
DTXSID0065725
ChEBI
CHEBI:68078
UNII
WN72UVQ99P
EC Number
238-050-2
Nikkaji
J31.457I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt
55 · 55-58 °C (lit.)
Siedepunkt
162 · 162-163 °C/5 mmHg (lit.)
Dichte
1.1708 · 1.1708 (rough estimate)
Brechungsindex
1.55 · 1.5500 (estimate)
Flammpunkt
163 °C/5mm · 163°C/5mm
storage temp.
Inert atmosphere,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.

Warning

H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 21-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18649
Hazard Classes and CategoriesSkin Irrit. 2 (96%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29182990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzeneacetic acid, 4-hydroxy-, methyl ester: ACTIVE

Anwendungen

VerwendenMethyl 4-hydroxyphenylacetate was used in the synthesis of 4-(2-hydroxy-3-isopropylamino)propoxyphenylacetic acid.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum.

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