Methyl tert-butyl ether

C5H12OCAS 1634-04-488.15 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C5H12O
Molar mass
88.15 g/mol
Exact mass
88.0888 Da
Density
0.7405 g/mL (at 20 °C)
Melting point
−108.6 °C
Boiling point
55.2 °C
pKa
-3.7
Flash point
-28 °C (closed cup)
Water solubility
51 g/L (25 °C)
logP
1.43Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 603-181-00-X), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
1634-04-4
SMILES
COC(C)(C)C
InChIKey
BZLVMXJERCGZMT-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • Propane, 2-methoxy-2-methyl-
  • Ether, tert-butyl methyl
  • 2-Methoxy-2-methylpropane
  • 2-Methyl-2-methoxypropane
  • tert-Butyl methyl ether
  • Methyl 1,1-dimethylethyl ether
  • tert-Butoxymethane
  • MTBE
  • 1,1-Dimethylethyl methyl ether
  • t-Butyl methyl ether
  • Methyl tertiary butyl ether
  • Driveron

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 1634-04-4. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Methyl tert-butyl ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimethyl orthoacetate1445-45-047 % similar 2,2-Dimethoxypropane77-76-947 % similar Di-tert-butyl peroxide110-05-443 % similar Tetramethoxymethane1850-14-243 % similar 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-435 % similar t-Butyl hypochlorite507-40-435 % similar tert-Butyl hydroperoxide75-91-235 % similar Dimethylacetamide dimethyl acetal18871-66-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl alcohol123-51-3 2-Methyl-1-butanol137-32-6 (S)-2-Methyl-1-butanol1565-80-6 (+)-2-Pentanol26184-62-3 1-Pentanol30899-19-5 (2R)-Pentan-2-ol31087-44-2 2-Methyl-1-butanol34713-94-5 3-Pentanol584-02-1

Elsewhere

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