Di-tert-butyl ether

HCID 22541CAS 6163-66-2

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(C)(C)C
InChIKey: AQEFLFZSWDEAIP-UHFFFAOYSA-N
Summenformel: C8H18O
Durchschnittliche Molmasse: 130,23 g/mol
Monoisotopische Masse: 130,13576519

Namen und Bezeichner

Bevorzugter Name: Di-tert-butyl ether
IUPAC: 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
Englischer Name: Di-tert-butyl ether
Summenformel: C8H18O
Molmasse: 130.23

Namen und Synonyme

Di-tert-butyl ethertert-Butyl etherPropane, 2,2'-oxybis[2-methyl-(tert-C4H9)2OUNII-C3A9UPP65HC3A9UPP65HBIS(TERT-BUTYL)ETHER2-(1,1-Dimethylethoxy)-2-methylpropane2,2'-Oxybis-2-methyl-propaneDTXSID80210645DI-TERT-BUTYL ETHER [MI]1,1'-Oxybis(1,1-dimethylethane)

Weitere Namen anzeigen

Acedoben Impurity 8Ditertiary butyl etherBis1,1-dimethylethyletherBis(1,1-dimethylethyl)etherDi(1,1-dimethylethyl) ether2-tert-Butoxy-2-methylpropane

PROPANE, 2-(1,1-DIMETHYLETHOXY)-2-METHYL-Propane, 2,2'-oxybis(2-methyl-RefChem:132517DTXCID10133136672-143-2AQEFLFZSWDEAIP-UHFFFAOYSA-NInChI=1/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H6163-66-2

Datenbank-Bezeichner

CAS: 6163-66-2
PubChem CID: 22541
DTXSID: DTXSID80210645
UNII: C3A9UPP65H
EC Number: 672-143-2
Nikkaji: J44.185F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 69

Physikochemische Eigenschaften

Schmelzpunkt: -78.15 °C · -78.15°C
Siedepunkt: 106 °C · 106°C
Dichte: 420 · d420 0.7658
Brechungsindex: 20 · nD20 1.3949
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Colourless
Spezifische Wärmekapazität: 2.12 J/ · Cp(liquid): 2.12 J/(g·K), at 25℃
Henry's Law Constant: 2.1 · 2.1×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
Dielectric constant: 3.05 · 3.0499999999999998
Stabilität: Volatile

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.