chempirical

Dipropyl adipate

C12H22O4CAS 106-19-4230.30 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C12H22O4
Molar mass
230.30 g/mol
Exact mass
230.1518 Da
Density
0.9804 g/mL (at 20 °C)
Melting point
−15.7 °C
Boiling point
155 °C (at 16 Torr)
logP
2.45Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
106-19-4
SMILES
CCCOC(=O)CCCCC(=O)OCCC
InChIKey
NKOUWLLFHNBUDW-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Hexanedioic acid, 1,6-dipropyl ester
  • Adipic acid, dipropyl ester
  • Hexanedioic acid, dipropyl ester
  • Di-n-propyl adipate
  • Dipropyl hexanedioate
  • Adipic acid di-n-propyl ester
  • NSC 4894

Work with Dipropyl adipate

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

Dipropyl sebacate15419-91-795 % similar Propyl hexanoate626-77-791 % similar Propyl heptanoate7778-87-288 % similar Dipropyl succinate925-15-582 % similar Dibutyl adipate105-99-779 % similar Propyl butyrate105-66-878 % similar Dibutyl sebacate109-43-376 % similar Dibutyl azelate2917-73-976 % similar

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

Same formula

Dimethyl sebacate106-79-6 (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-3 1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-5 Dibutyl succinate141-03-7 1,6-Hexanediol diglycidyl ether16096-31-4 Diethyl suberate2050-23-9 Diethyl isoamylmalonate5398-08-3 Dodecanedioic acid693-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook