Hexyl formate

C₇H₁₄O₂CAS 629-33-4130.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₄O₂
Molar mass: 130.19 g/mol
Exact mass: 130.0994 Da
Density: 0.99 g/mL (at 20 °C)
Melting point: −62.6 °C
Boiling point: 155.5 °C
logP: 1.74Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

629-33-4

SMILES

CCCCCCOC=O

InChIKey

OUGPMNMLWKSBRI-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

4 names

Formic acid, hexyl ester
Hexyl alcohol, formate
n-Hexyl formate
NSC 4780

Work with Hexyl 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 formate638-49-395 % similar Butyl formate592-84-782 % similar Propyl formate110-74-765 % similar Octadecyl vinyl ether930-02-956 % similar Dihexyl ether112-58-350 % similar Glycol diformate629-15-250 % similar Octyl ether629-82-350 % similar Hexyl methyl ether4747-07-346 % 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

PubChem CAS Common Chemistry NIST WebBook