Ethyl-4-hydroxyphenylacetat

Ethyl 4-hydroxyphenylacetate

HCID 28310CAS 17138-28-2

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Grundinformationen

Standard-SMILES: CCOC(=O)Cc1ccc(O)cc1
InChIKey: HYUPPKVFCGIMDB-UHFFFAOYSA-N
Summenformel: C10H12O3
Durchschnittliche Molmasse: 180,2 g/mol
Monoisotopische Masse: 180,07864424

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-hydroxyphenylacetate
IUPAC: ethyl 2-(4-hydroxyphenyl)acetate
Lokaler Name: Ethyl-4-hydroxyphenylacetat
Englischer Name: Ethyl 4-hydroxyphenylacetate
Summenformel: C10H12O3
Molmasse: 180.2

Namen und Synonyme

Ethyl 4-hydroxyphenylacetateethyl 2-(4-hydroxyphenyl)acetateBenzeneacetic acid, 4-hydroxy-, ethyl ester4-Hydroxyphenylacetic acid ethyl esterethyl (4-hydroxyphenyl)acetateEthyl (p-hydroxyphenyl)acetate94NWB742CWEINECS 241-197-5DTXSID0066165Acetic acid, (p-hydroxyphenyl)-, ethyl ester(4-Hydroxy-phenyl)-acetic acid ethylesterRefChem:138772

Weitere Namen anzeigen

EPAN-003AKOS 909252-(4-hydroxyphenyl)butanoateEthyl4-Hydroxyphenylacetate>ETHYL-4-HYDROXYPHENYLACETIC ACIDEthyl 2-(p-Hydroxyphenyl)acetate4-hydroxy-benzeneaceticaciethylester

DTXCID2035487Ethyl 2-(4-hydroxyphenyl)acetic acid241-197-5Ethyl 4-hydroxyphenylacetic acidHYUPPKVFCGIMDB-UHFFFAOYSA-NInChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H17138-28-2MFCD00016491

Datenbank-Bezeichner

CAS: 17138-28-2
PubChem CID: 28310
DTXSID: DTXSID0066165
UNII: 94NWB742CW
EC Number: 241-197-5
Nikkaji: J101.861B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-38°C
Siedepunkt: 187 · 187-189°C 20mm
Dichte: 1.146 · 1.146±0.06 g/cm3(Predicted)
Brechungsindex: 1.52 · 1.52
Flammpunkt: 187 · 187-189°C/20mm
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform
Aggregatzustand: Brown Semi-Solid
pka: 9.84 · 9.84±0.15(Predicted)
Farbe: White or Colorless to Light yellow
LogP: 1.76 · 1.760 (est)
CAS Datenbank: 17138 · 17138-28-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzeneacetic acid, 4-hydroxy-, ethyl ester(17138-28-2)
EPA chemische Informationen: 4 · Benzeneacetic acid, 4-hydroxy-, ethyl ester (17138-28-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.