chempirical

Hexylene glycol diacetate

C10H18O4CAS 6222-17-9202.25 g/mol

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Ester

Properties

Molecular formula
C10H18O4
Molar mass
202.25 g/mol
Exact mass
202.1205 Da
Density
1.0135 g/mL (at 20 °C)
Boiling point
103.5–106 °C (at 3 Torr)
logP
1.67Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Identifiers

CAS number
6222-17-9
SMILES
CC(=O)OCCCCCCOC(C)=O
InChIKey
ZMFWEWMHABZQNB-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O4/c1-9(11)13-7-5-3-4-6-8-14-10(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
  • 1,6-Hexanediol, 1,6-diacetate
  • 1,6-Hexanediol, diacetate
  • 1,6-Diacetoxyhexane
  • 1,6-Dihydroxyhexane diacetate
  • NSC 67922
  • 1,6-Hexylene glycol diacetate
  • 1,6-HDDA
  • CELTOL 1,6-HDDA

Work with Hexylene glycol diacetate

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

1,5-Diacetoxypentane6963-44-6100 % similar Butylene glycol diacetate628-67-194 % similar 1,3-Diacetoxypropane628-66-084 % similar Heptyl acetate112-06-178 % similar Octyl acetate112-14-178 % similar Decyl acetate112-17-478 % similar Dodecyl acetate112-66-378 % similar Hexyl acetate142-92-778 % similar

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

Same formula

3-(1,1-Dimethylethyl)hexanedioic acid10347-88-3 Sebacic acid111-20-6 1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol1256546-72-1 Diethyl adipate141-28-6 Dimethyl suberate1732-09-8 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-9 Dibutyl oxalate2050-60-4 Monomethyl azelate2104-19-0

Elsewhere

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