Butyl formate

C₅H₁₀O₂CAS 592-84-7102.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀O₂
Molar mass: 102.13 g/mol
Exact mass: 102.0681 Da
Density: 0.9 g/mL
Melting point: −90 °C
Boiling point: 107 °C
logP: 0.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

592-84-7

SMILES

CCCCOC=O

InChIKey

NMJJFJNHVMGPGM-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

4 names

Formic acid, butyl ester
n-Butyl formate
Butyl methanoate
NSC 6969

Work with Butyl formate

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

Pentyl formate638-49-386 % similar Hexyl formate629-33-482 % similar Propyl formate110-74-771 % similar Glycol diformate629-15-255 % similar Butyl vinyl ether111-34-252 % similar Ethyl formate109-94-448 % similar cis-3-Hexenyl formate33467-73-146 % similar Dibutyl ether142-96-145 % similar

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

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0

Elsewhere

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