Di-tert-butyl ether

HCID 22541

Notes Reactions

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Basic information

CAS: 6163-66-2
Standard SMILES: CC(C)(C)OC(C)(C)C
InChIKey: AQEFLFZSWDEAIP-UHFFFAOYSA-N
Molecular formula: C8H18O
Average molar mass: 130.23 g/mol
Monoisotopic mass: 130.13576519

Names & identifiers

Preferred name: Di-tert-butyl ether
IUPAC: 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
English name: Di-tert-butyl ether
Molecular formula: C8H18O
Molecular weight: 130.23

Names & synonyms

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)

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 69

Physicochemical properties

Melting point: -78.15 °C · -78.15°C
Boiling point: 106 °C · 106°C
Density: 420 · d420 0.7658
refractive index: 20 · nD20 1.3949
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Liquid
color: Colourless
Specific Heat Capacity: 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
Stability: Volatile
FDA UNII: 3 A9UPP65H · C3A9UPP65H
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 226 · H226
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36
RIDADR: 3271 · 3271

Safety & regulation

GHS classification

GHS Classification · 5 items

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.