1,1,3-Triethoxypropane

C₉H₂₀O₃CAS 7789-92-6176.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀O₃
Molar mass: 176.26 g/mol
Exact mass: 176.1412 Da
Boiling point: 70 °C (at 13 Torr)
logP: 1.81Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers

Aggregated from 132 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number

7789-92-6

SMILES

CCOCCC(OCC)OCC

InChIKey

LGICWIVABSMSDK-UHFFFAOYSA-N

InChI

InChI=1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3

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Names and synonyms

5 names

Propane, 1,1,3-triethoxy-
Propionaldehyde, 3-ethoxy-, diethyl acetal
β-Ethoxypropionaldehyde diethyl acetal
3-Ethoxypropionaldehyde diethyl acetal
NSC 71868

Work with 1,1,3-Triethoxypropane

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

3,3-Diethoxy-1-propanol16777-87-052 % similar 3-Chloro-1,1-diethoxypropane35573-93-452 % similar 1-Amino-3,3-diethoxypropane41365-75-752 % similar 1,1,3,3-Tetraethoxypropane122-31-650 % similar 1,1-Diethoxyhexane3658-93-350 % similar Ethylene glycol diethyl ether629-14-150 % similar 4-Chlorobutyraldehyde diethyl acetal6139-83-948 % similar 4,4-Diethoxy-1-butanamine6346-09-448 % similar

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

Same formula

Triethyl orthopropionate115-80-0 1-(1-Methyl-2-propoxyethoxy)2-propanol29911-27-1 Ethylene oxide-propylene oxide copolymer monobutyl ether9038-95-3

Elsewhere

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