chempirical

Ethyl ethoxyacetate

C6H12O3CAS 817-95-8132.16 g/mol

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EsterEther

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Density
0.98 g/mL
Boiling point
158 °C
logP
0.59Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
817-95-8
SMILES
CCOCC(=O)OCC
InChIKey
CKSRFHWWBKRUKA-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-3-8-5-6(7)9-4-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-ethoxy-, ethyl ester
  • Acetic acid, ethoxy-, ethyl ester
  • Ethoxyacetic acid ethyl ester
  • α-Ethoxyacetic acid ethyl ester
  • NSC 83555
  • 2-Ethoxyaceticacid ethylester

Work with Ethyl ethoxyacetate

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

Ethyl 2-chloroethoxyacetate17229-14-064 % similar Ethyl 2-methoxyacetate3938-96-364 % similar Ethyl 3-ethoxypropionate763-69-962 % similar Diethyl malonate105-53-361 % similar Ethyl glycolate623-50-760 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar Ethyl bromoacetate105-36-254 % similar

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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