chempirical

Dimethyladipate

C8H14O4CAS 627-93-0174.20 g/mol

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Ester

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
Density
1.06 g/mL (at 20 °C)
Melting point
10.3 °C
Boiling point
115 °C (at 13 Torr)
Flash point
107.2 °C
Water solubility
600 mg/L
logP
0.89Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,062 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
627-93-0
SMILES
COC(=O)CCCCC(=O)OC
InChIKey
UDSFAEKRVUSQDD-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Dimethyl adipate
  • Hexanedioic acid, 1,6-dimethyl ester
  • Adipic acid, dimethyl ester
  • Hexanedioic acid, dimethyl ester
  • Methyl adipate
  • Dimethyl hexanedioate
  • DBE 6
  • NSC 11213
  • Adipinic acid dimethyl ester
  • Dimethyl 1,6-hexanedioate

Work with Dimethyladipate

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

Dimethyl sebacate106-79-694 % similar Dimethyl octadecanedioate1472-93-194 % similar 1,12-Dimethyl dodecanedioate1731-79-994 % similar Dimethyl pimelate1732-08-794 % similar Dimethyl suberate1732-09-894 % similar Dimethyl azelate1732-10-194 % similar Rhodasolv RPDE NA95481-62-294 % similar Dimethyl glutarate1119-40-094 % similar

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

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 Mono-tert-butyl succinate15026-17-2 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Dimethyl 3-methylglutarate19013-37-7 Glycol diglycidyl ether2224-15-9

Elsewhere

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