Triethyl orthoacetate

C₈H₁₈O₃CAS 78-39-7162.23 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₈H₁₈O₃
Molar mass: 162.23 g/mol
Exact mass: 162.1256 Da
Density: 0.8847 g/mL (at 25 °C)
Boiling point: 145 °C
logP: 1.77Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation78.8% of notifiers
H319 Causes serious eye irritation84.8% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 99 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

78-39-7

SMILES

CCOC(C)(OCC)OCC

InChIKey

NDQXKKFRNOPRDW-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3

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

Names and synonyms

5 names

Ethane, 1,1,1-triethoxy-
Orthoacetic acid, triethyl ester
1,1,1-Triethoxyethane
Ethyl orthoacetate
NSC 5596

Work with Triethyl orthoacetate

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-Diethoxypropane126-84-156 % similar Ethyl tert-butyl ether637-92-356 % 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 2-Chloro-1,1,1-triethoxyethane51076-95-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dipropylene glycol dimethyl ether111109-77-4 Deg monobutyl ether112-34-5 Diethylene glycol diethyl ether112-36-7 Trimethyl orthovalerate13820-09-2

Elsewhere

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