Triethyl orthopropionate

C₉H₂₀O₃CAS 115-80-0176.26 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₉H₂₀O₃
Molar mass: 176.26 g/mol
Exact mass: 176.1412 Da
Density: 0.8826 g/mL (at 25 °C)
Melting point: 284 °C
Boiling point: 171 °C
logP: 2.16Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

Hazards

Warning

H226 Flammable liquid and vapor98.7% of notifiers
H302 Harmful if swallowed54.5% of notifiers
H315 Causes skin irritation75.3% of notifiers
H319 Causes serious eye irritation81.8% of notifiers

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

115-80-0

SMILES

CCOC(CC)(OCC)OCC

InChIKey

FGWYWKIOMUZSQF-UHFFFAOYSA-N

InChI

InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3

Weigh it out

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

Names and synonyms

6 names

Propane, 1,1,1-triethoxy-
Orthopropionic acid, triethyl ester
1,1,1-Triethoxypropane
Ethyl orthopropionate
Triethyl orthopropanoate
NSC 5604

Work with Triethyl orthopropionate

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

Triethyl orthobutyrate24964-76-955 % similar 2-Chloro-1,1,1-triethoxyethane51076-95-055 % similar Tetraethoxymethane78-09-153 % similar 1,1,1-Triethoxypentane919-29-950 % similar 2,2-Diethoxypropane126-84-147 % similar 1,1,1-Trimethoxypropane24823-81-247 % similar Ethyl tert-butyl ether637-92-347 % similar Triethyl orthoacetate78-39-747 % similar

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

Same formula

1-(1-Methyl-2-propoxyethoxy)2-propanol29911-27-1 1,1,3-Triethoxypropane7789-92-6 Ethylene oxide-propylene oxide copolymer monobutyl ether9038-95-3

Elsewhere

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