Ethyl tert-butyl ether

C₆H₁₄OCAS 637-92-3102.18 g/mol

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Ether

Properties

Molecular formula: C₆H₁₄O
Molar mass: 102.18 g/mol
Exact mass: 102.1045 Da
Density: 0.7404 g/mL (at 20 °C)
Melting point: −94 °C
Boiling point: 73.1 °C
Flash point: -19 °C (closed cup)
Water solubility: 12 g/L (25 °C)
logP: 1.82Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H224 Extremely flammable liquid and vapor14.6% of notifiers
H225 Highly Flammable liquid and vapor83.4% of notifiers
H315 Causes skin irritation28.5% of notifiers
H319 Causes serious eye irritation29.1% of notifiers
H335 May cause respiratory irritation17.2% of notifiers
H336 May cause drowsiness or dizziness77.5% of notifiers

Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

637-92-3

SMILES

CCOC(C)(C)C

InChIKey

NUMQCACRALPSHD-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3

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Names and synonyms

8 names

Propane, 2-ethoxy-2-methyl-
Ether, tert-butyl ethyl
2-Ethoxy-2-methylpropane
tert-Butyl ethyl ether
Ethyl tert-butyl oxide
Ethyl 1,1-dimethylethyl ether
1,1-Dimethylethyl ethyl ether
NSC 1069

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 637-92-3. Each row opens the sheet with its composition and PDF.

tert-Butyl ethyl ether > 95 %Avocado Research Chemicals Ltd. · 2024-02-02

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Work with Ethyl 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

2-(2-Ethoxyethoxy)-2-methylpropane51422-54-957 % similar 2,2-Diethoxypropane126-84-156 % similar Triethyl orthoacetate78-39-756 % similar Tetraethoxymethane78-09-153 % similar Triethyl orthopropionate115-80-047 % similar 2,2-Diethoxypropionitrile56011-12-242 % similar 1,1-Diethoxycyclohexane1670-47-941 % similar Triethyl orthobutyrate24964-76-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 Diisopropyl ether108-20-3 1-Hexanol111-27-3 Di-n-propyl ether111-43-3 (2R)-4-Methylpentan-2-ol16404-54-9 (R)-(-)-2-Hexanol26549-24-6 Pinacolyl alcohol464-07-3

Elsewhere

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