chempirical

Butyl isovalerate

C9H18O2CAS 109-19-3158.24 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C9H18O2
Molar mass
158.24 g/mol
Exact mass
158.1307 Da
Density
0.87 g/mL
Boiling point
150 °C
logP
2.38Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
109-19-3
SMILES
CCCCOC(=O)CC(C)C
InChIKey
AYWJSCLAAPJZEF-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Butanoic acid, 3-methyl-, butyl ester
  • Isovaleric acid, butyl ester
  • Butyl 3-methylbutyrate
  • n-Butyl isovalerate
  • Butyl 3-methylbutanoate
  • 3-Methylbutyric acid butyl ester
  • n-Butyl 3-methylbutyrate
  • NSC 6187
  • 3-Methylbutanoic acid butyl ester

Work with Butyl isovalerate

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

Same formula

Isoamyl butyrate106-27-4 Ethyl heptanoate106-30-9 Methyl octanoate111-11-5 Pelargonic acid112-05-0 Heptyl acetate112-06-1 (±)-Butyl 2-methylbutanoate15706-73-7 4-Methyl-2-pentyl-1,3-dioxolane1599-49-1 Isoamyl isobutyrate2050-01-3

Elsewhere

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