Propane, 2-(ethenyloxy)-2-methyl-

HCID 70220CAS 926-02-3

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Grundinformationen

Standard-SMILES: C=COC(C)(C)C
InChIKey: PGYJSURPYAAOMM-UHFFFAOYSA-N
Summenformel: C6H12O
Durchschnittliche Molmasse: 100,16 g/mol
Monoisotopische Masse: 100,088815

Namen und Bezeichner

Bevorzugter Name: Propane, 2-(ethenyloxy)-2-methyl-
IUPAC: 2-ethenoxy-2-methylpropane
Englischer Name: TERT-BUTYL VINYL ETHER
Summenformel: C6H12O
Molmasse: 100.16

Namen und Synonyme

926-02-3Propane, 2-(ethenyloxy)-2-methyl-2-(Ethenyloxy)-2-methylpropaneDTXSID0061290RefChem:868840DTXCID4048802618-860-6tert-Butyl vinyl etherTERT-BUTYLVINYLETHER2-ethenoxy-2-methylpropaneMFCD000482462-Methyl-2-vinyloxy-propane

Weitere Namen anzeigen

tert-Butoxyethenetert-ButoxyethyleneVINYL T-BUTYL ETHER1-tert-ButoxyetheneEther,tert-butylvinyEther,tert-butylvinylvinyltert.-butyletherTERT-BUTYL ETHENYL ETHER

2-methyl-2-(vinyloxy)propaneC6H12Ot-butyl vinyl ethertert-butylvinyl etherVinyltertiary-butylethertertiarybutyl vinyl ethertertiary butyl vinyl etherSCHEMBL49310

Datenbank-Bezeichner

CAS: 926-02-3
PubChem CID: 70220
DTXSID: DTXSID0061290
EC Number: 618-860-6
Nikkaji: J421.544C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 59,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: -112 °C · -112°C
Siedepunkt: 75 · 75-76 °C(lit.)
Dichte: 0.762 g/mL · 0.762 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.398(lit.)
Flammpunkt: 1 °F · 1 °F
storage temp.: Refrigerator (+4°C) + Flammables area
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Miscible with alcohol, carbon disulfide, chloroform and diethyl ether. Slightly miscible with water.
Stabilität: Stable. Highly flammable. Incompatible with strong oxidizing agents. May be prone to the formation of peroxides when stored in contact with air.
InChI: InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3
InChIKey: PGYJSURPYAAOMM-UHFFFAOYSA-N
SMILES: CC(OC=C)(C)C
LogP: 1.805 · 1.805 (est)
CAS Datenbank: 926 · 926-02-3
EPA chemische Informationen: 2 · Propane, 2-(ethenyloxy)-2-methyl- (926-02-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3271 3/PG 2
hs_code: 29091990
risk_code: 11-38
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 3.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropane, 2-(ethenyloxy)-2-methyl-: ACTIVE

Anwendungen

Verwendentert-Butyl vinyl ether is used in the synthesis of 3-tert-Butoxycyclobutanone by reacting with ketene using zinc(II) chloride as a catalyst. It acts as an intermediate for the functional vinyl monomer.