Isopropyl hexanoate
Properties
- Molecular formula
- C9H18O2
- Molar mass
- 158.24 g/mol
- Exact mass
- 158.1307 Da
- Boiling point
- 168 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H226 Flammable liquid and vapor90.7% of notifiers
Aggregated from 1,449 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
2311-46-8SMILES
CCCCCC(=O)OC(C)CInChIKey
JSHDAORXSNJOBA-UHFFFAOYSA-NInChI
InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Hexanoic acid, 1-methylethyl ester
- Hexanoic acid, isopropyl ester
- Isopropyl caproate
- Isopropyl n-hexanoate
- Isopropyl capronate
- 1-Methylethyl hexanoate
Work with Isopropyl hexanoate
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
Isopropyl myristate110-27-096 % similar
Isopropyl stearate112-10-796 % similar
Isopropyl palmitate142-91-696 % similar
Isopropyl oleate112-11-881 % similar
Diisopropyl adipate6938-94-980 % similar
Diisopropyl sebacate7491-02-377 % similar
Isopropyl butanoate638-11-974 % similar
Diisopropyl succinate924-88-965 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.