chempirical

Isopropyl butanoate

C7H14O2CAS 638-11-9130.19 g/mol

Open in Covalent MOL file
OO
Ester

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

Identifiers

CAS number
638-11-9
SMILES
CCCC(=O)OC(C)C
InChIKey
FFOPEPMHKILNIT-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3

Weigh 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 palmitate142-91-671 % similar Diisopropyl adipate6938-94-968 % similar Diisopropyl sebacate7491-02-365 % similar Isopropyl propionate637-78-562 % similar Diisopropyl malonate13195-64-760 % similar

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

Same formula

Propyl butyrate105-66-8 Methyl hexanoate106-70-7 4-Methoxy-4-methyl-2-pentanone107-70-0 Ethyl isovalerate108-64-5 Enanthic acid111-14-8 2,2-Dimethylpentanoic acid1185-39-3 Isoamyl acetate123-92-2 tert-Butyl propionate20487-40-5

Elsewhere

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