Grundinformationen
- Standard-SMILES
CCOC(=O)CC(=O)OC(C)(C)C- InChIKey
OCOBFMZGRJOSOU-UHFFFAOYSA-N- Summenformel
- C9H16O4
- Durchschnittliche Molmasse
- 188,22 g/mol
- Monoisotopische Masse
- 188,10485899
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl ethyl malonate
- IUPAC
- 3-O-tert-butyl 1-O-ethyl propanedioate
- Lokaler Name
- tert-Butylethylmalonat
- Englischer Name
- TERT-BUTYL ETHYL MALONATE
- Summenformel
- C9H16O4
- Molmasse
- 188.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
32864-38-3- PubChem CID
- 96345
- DTXSID
DTXSID40186519- EC Number
- 251-269-8
- Nikkaji
- J319.461B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 190
Physikochemische Eigenschaften
- Siedepunkt
- 83 · 83-85 °C/8 mmHg (lit.)
- Dichte
- 0.994 g/mL · 0.994 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.416(lit.)
- Flammpunkt
- 189 °F · 189 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 11.86 · 11.86±0.46(Predicted)
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- Miscible with most common solvents. Immiscible with water.
- BRN
- 1776681 · 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 · 32864-38-3(CAS DataBase Reference)
- NIST chemische Informationen
- tert-Butyl ethyl malonate(32864-38-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (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 exposure; Respiratory 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.
Gefahrenhinweise
Regulatory Information
Chemical: Propanedioic acid, 1,1-dimethylethyl ethyl ester
Propanedioic acid, 1,1-dimethylethyl ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
Chemical: Propanedioic acid, 1,1-dimethylethyl ethyl ester
Propanedioic acid, 1,1-dimethylethyl ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29171900
- safety_code
- 23-24/25
- hazard_class
- CBL
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwendentert-Butyl ethyl malonate is used in the preparation of polar ester-functionalized aliphatic polysulfone. It is also a useful reagent for organic synthesis.
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