chempirical

Ethyl diethoxyacetate

C8H16O4CAS 6065-82-3176.21 g/mol

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AcetalEsterEther

Properties

Molecular formula
C8H16O4
Molar mass
176.21 g/mol
Exact mass
176.1049 Da
Boiling point
199 °C
logP
0.95Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6065-82-3
SMILES
CCOC(=O)C(OCC)OCC
InChIKey
XCLBIKIQSCTANZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Acetic acid, 2,2-diethoxy-, ethyl ester
  • Glyoxylic acid, ethyl ester, 2-(diethyl acetal)
  • Glyoxylic acid, ethyl ester, diethyl acetal
  • Acetic acid, diethoxy-, ethyl ester
  • Ethyl 2,2-diethoxyacetate
  • Ethyl 2,2-bis(ethyloxy)acetate
  • 2,2-Di(ethoxy)acetic acid ethyl ester

Reactions

Work with Ethyl diethoxyacetate

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 glycidate4660-80-462 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar Ethyl isobutyrate97-62-158 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-156 % similar (-)-Diethyl tartrate13811-71-756 % similar 1,3-Diethyl 2-chloropropanedioate14064-10-956 % similar Ethyl difluoroacetate454-31-956 % similar Diethyl aminomalonate6829-40-956 % similar

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

Same formula

Metaldehyde108-62-3 Carbitol acetate112-15-2 (3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate1208313-97-6 2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol23147-57-1 12-Crown-4294-93-9

Elsewhere

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