tert-Butylethylmalonat

Maloni · TERT-BUTYL ETHYL MAL · T-BUTYL ETHYL MALONATE · t-Butyl ethyl nalonate · TERT-BUTYL ETHYL MALOTE · tert-Buty ethyl malonate · ETHYL TERT-BUTYL MALONATE · TERT-BUTYL ETHYL MALONATE

https://huagongshe.com/de/chemical/96345

Molekülstruktur von tert-Butylethylmalonat

Identifikatoren & physikalische Daten

CAS No.	32864-38-3
Summenformel	C9H16O4
Durchschnittliche Molmasse	188,22 g/mol
Monoisotopische Masse	188,10485899 g/mol
SMILES	CCOC(=O)CC(=O)OC(C)(C)C
InChIKey	OCOBFMZGRJOSOU-UHFFFAOYSA-N
PubChem CID	96345
EC No.	251-269-8
DTXSID	DTXSID40186519
Lokaler Name	tert-Butylethylmalonat

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	52,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	6
Schwere Atome	13
Formalladung	0
Komplexität	190
Siedepunkt	83-85 °C/8 mmHg (lit.)
Dichte	0.994 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.416(lit.)
Flammpunkt	189 °F
Lagerbedingungen	Inert atmosphere,Room Temperature
Aggregatzustand	clear liquid
pKa (Säurekonstante)	11.86±0.46(Predicted)
Farbe	Colorless to Almost colorless
Löslichkeit	Miscible with most common solvents. Immiscible with water.
BRN	1776681
InChI	InChI=1S/C9H16O4/c1-5-12-7(10)6-8(11)13-9(2,3)4/h5-6H2,1-4H3
InChIKey	OCOBFMZGRJOSOU-UHFFFAOYSA-N
SMILES	C(OC(C)(C)C)(=O)CC(OCC)=O
CAS Datenbank	32864-38-3(CAS DataBase Reference)
NIST chemische Informationen	tert-Butyl ethyl malonate(32864-38-3)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: Propanedioic acid, 1,1-dimethylethyl ethyl esterPropanedioic acid, 1,1-dimethylethyl ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and Categories	Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	NA 1993 / PGIII
Zollcode	29171900
Sicherheitshinweise (S)	23-24/25

Anwendungen & Verwendung

Verwenden

tert-Butyl ethyl malonate is used in the preparation of polar ester-functionalized aliphatic polysulfone. It is also a useful reagent for organic synthesis.