Dioctyl adipate
Properties
- Molecular formula
- C22H42O4
- Molar mass
- 370.57 g/mol
- Exact mass
- 370.3083 Da
- Melting point
- 7.49 °C
- Boiling point
- 214 °C
- Water solubility
- 780 µg/L
- logP
- 6.35Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 19
Hazards
Warning
- H315 Causes skin irritation24.2% of notifiers
- H319 Causes serious eye irritation24.2% of notifiers
Aggregated from 178 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
123-79-5SMILES
CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCInChIKey
NEHDRDVHPTWWFG-UHFFFAOYSA-NInChI
InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Hexanedioic acid, 1,6-dioctyl ester
- Adipic acid, dioctyl ester
- Hexanedioic acid, dioctyl ester
- Di-n-octyl adipate
- Octyl adipate
- NSC 16201
- Dicaprylyl adipate
Work with Dioctyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Decyl decanoate1654-86-0100 % similar
Dioctyl decanedioate2432-87-3100 % similar
Stearyl stearate2778-96-3100 % similar
Myristyl myristate3234-85-3100 % similar
Decyl laurate36528-28-6100 % similar
Dinonyl sebacate4121-16-8100 % similar
Cetyl palmitate540-10-3100 % similar
Hexyl hexanoate6378-65-0100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds