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HCID 96261Erstellt: 3. November 2026

Ethyldiphenylglykolat

ETHYL BENZILATE · Einecs 257-713-7 · Ethyl benzillate · EthylBenzilate>Trospium Impurity 13 · Ethyl benzilate, 97+% · ETHYL DIPHENYLGLYCOLATE · BENZILIC ACID ETHYL ESTER · BENZILIC ACID ETHYL ESTER 97%

https://huagongshe.com/de/chemical/96261

Molekülstruktur von Ethyldiphenylglykolat

Identifikatoren & physikalische Daten

CAS No.	52182-15-7
Summenformel	C16H16O3
Durchschnittliche Molmasse	256,3 g/mol
Monoisotopische Masse	256,10994437 g/mol
SMILES	CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIKey	AIPVNQQMYPWQSX-UHFFFAOYSA-N
PubChem CID	96261
EC No.	257-713-7
DTXSID	DTXSID10200211
Lokaler Name	Ethyldiphenylglykolat

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	19
Formalladung	0
Komplexität	270
Schmelzpunkt	29°C
Siedepunkt	192-194°C 12mm
Dichte	1,562 g/cm3
Brechungsindex	1.5600
Flammpunkt	192-194°C/12mm
Lagerbedingungen	Store at room temperature
Aggregatzustand	powder to lump to clear liquid
pKa (Säurekonstante)	11.52±0.29(Predicted)
Farbe	White or Colorless to Yellow
BRN	991958
InChI	InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3
InChIKey	AIPVNQQMYPWQSX-UHFFFAOYSA-N
SMILES	C(O)(C(=O)OCC)(C1C=CC=CC=1)C1C=CC=CC=1
CAS Datenbank	52182-15-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	REACH registered substance: Ethyl diphenylglycolate (EC: 257-713-7)
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
Zollcode	29181990
Sicherheitshinweise (S)	24/25

CAS No.

52182-15-7

Summenformel

C16H16O3

Durchschnittliche Molmasse

256,3 g/mol

Monoisotopische Masse

256,10994437 g/mol

SMILES

CCOC(=O)C(O)(c1ccccc1)c1ccccc1

InChIKey

AIPVNQQMYPWQSX-UHFFFAOYSA-N

PubChem CID

96261

EC No.

257-713-7

DTXSID

DTXSID10200211

Lokaler Name

Ethyldiphenylglykolat

Chemische & physikalische Eigenschaften

XLogP

Polarare Oberfläche (TPSA)

46,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

270

Schmelzpunkt

29°C

Siedepunkt

192-194°C 12mm

Dichte

1,562 g/cm3

Brechungsindex

1.5600

Flammpunkt

192-194°C/12mm

Lagerbedingungen

Store at room temperature

Aggregatzustand

powder to lump to clear liquid

pKa (Säurekonstante)

11.52±0.29(Predicted)

Farbe

White or Colorless to Yellow

BRN

991958

InChI

InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3

InChIKey

AIPVNQQMYPWQSX-UHFFFAOYSA-N

SMILES

C(O)(C(=O)OCC)(C1C=CC=CC=1)C1C=CC=CC=1

CAS Datenbank

52182-15-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

REACH registered substance: Ethyl diphenylglycolate (EC: 257-713-7)

Hazard Classes and Categories

Acute Tox. 4 (97.5%)

Zollcode

29181990

Sicherheitshinweise (S)

24/25