chempirical

1,8-Diacetoxy-3,6-dioxaoctane

C10H18O6CAS 111-21-7234.25 g/mol

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EsterEther

Properties

Molecular formula
C10H18O6
Molar mass
234.25 g/mol
Exact mass
234.1103 Da
Density
1.112 g/mL (at 25 °C)
Melting point
−50 °C
Boiling point
286 °C
logP
0.15Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
9

Identifiers

CAS number
111-21-7
SMILES
CC(=O)OCCOCCOCCOC(C)=O
InChIKey
OVOUKWFJRHALDD-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanol, 2,2′-[1,2-ethanediylbis(oxy)]bis-, 1,1′-diacetate
  • Triethylene glycol, diacetate
  • Ethanol, 2,2′-[1,2-ethanediylbis(oxy)]bis-, diacetate
  • Triglycol diacetate
  • Estol 1593
  • NSC 2591
  • Clextral BC 21
  • 2-[2-(2-Acetyloxyethoxy)ethoxy]ethyl acetate

Work with 1,8-Diacetoxy-3,6-dioxaoctane

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

Oxydiethylene acetate628-68-2100 % similar Glycol diacetate111-55-783 % similar Carbitol acetate112-15-278 % similar Diethylene glycol monomethyl ether acetate629-38-978 % similar (2-Acetoxyethoxy)methyl acetate59278-00-177 % similar 2-Ethoxyethyl acetate111-15-974 % similar 2-Butoxyethanol acetate112-07-272 % similar Diethylene glycol monobutyl ether acetate124-17-472 % similar

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

Same formula

Di-sec-butyl peroxydicarbonate19910-65-7 Diisopropyl tartrate2217-15-4 Diisopropyl (-)-tartrate62961-64-2

Elsewhere

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