Triethyl orthobutyrate

C₁₀H₂₂O₃CAS 24964-76-9190.28 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₁₀H₂₂O₃
Molar mass: 190.28 g/mol
Exact mass: 190.1569 Da
logP: 2.55Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Hazards

Warning

H226 Flammable liquid and vapor50% of notifiers
H227 Combustible liquid50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

24964-76-9

SMILES

CCCC(OCC)(OCC)OCC

InChIKey

KOPMZTKUZCNGFY-UHFFFAOYSA-N

InChI

InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

1,1,1-Triethoxybutane

Work with Triethyl orthobutyrate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,1-Triethoxypentane919-29-971 % similar Triethyl orthopropionate115-80-055 % similar Trimethyl orthobutyrate43083-12-150 % similar 2-Chloro-1,1,1-triethoxyethane51076-95-048 % similar Tetraethoxymethane78-09-145 % similar 1,1-Diethoxycyclohexane1670-47-942 % similar 2,2-Diethoxypropane126-84-141 % similar Ethyl tert-butyl ether637-92-341 % similar

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

Same formula

Diethylene glycol monohexyl ether112-59-4 Terpin hydrate2451-01-6 Dipropylene glycol n-butyl ether29911-28-2 Dipropylene glycol monobutyl ether35884-42-5 2,2′,2′′-[Methylidynetris(oxy)]tris[propane]4447-60-3 1,1′,1′′-[Methylidynetris(oxy)]tris[propane]621-76-1

Elsewhere

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