Pentyl formate

C₆H₁₂O₂CAS 638-49-3116.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₂
Molar mass: 116.16 g/mol
Exact mass: 116.0837 Da
Density: 0.8853 g/mL (at 20 °C)
Melting point: −73.5 °C
Boiling point: 130.4 °C
logP: 1.35Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

638-49-3

SMILES

CCCCCOC=O

InChIKey

DIQMPQMYFZXDAX-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

5 names

Formic acid, pentyl ester
Amyl formate
n-Pentyl formate
n-Amyl formate
NSC 72023

Work with Pentyl 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

Hexyl formate629-33-495 % similar Butyl formate592-84-786 % similar Propyl formate110-74-768 % similar Glycol diformate629-15-252 % similar Octadecyl vinyl ether930-02-952 % similar Pentyl ether693-65-248 % similar Ethyl formate109-94-446 % similar Dihexyl ether112-58-346 % similar

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

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook