Isopropyl butanoate
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Boiling point
- 130.5 °C
- logP
- 1.74Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation98% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 204 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
638-11-9SMILES
CCCC(=O)OC(C)CInChIKey
FFOPEPMHKILNIT-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Butanoic acid, 1-methylethyl ester
- Butyric acid, isopropyl ester
- Isopropyl butyrate
- 1-Methylethyl butanoate
- Isopropyl n-butyrate
- Butanoic acid isopropyl ester
- 2-Propyl butanoate
- Butanoic acid 2-propyl ester
Work with Isopropyl butanoate
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 hexanoate2311-46-874 % similar
Diisopropyl succinate924-88-974 % similar
Isopropyl myristate110-27-071 % similar
Isopropyl stearate112-10-771 % similar
Isopropyl palmitate142-91-671 % similar
Diisopropyl adipate6938-94-968 % similar
Diisopropyl sebacate7491-02-365 % similar
Isopropyl propionate637-78-562 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.