Hexyl formate

C7H14O2CAS 629-33-4130.19 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H14O2
Molar mass
130.19 g/mol
Exact mass
130.0994 Da
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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Hazards

Warning
Flammable (GHS02)

Aggregated from 1,498 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

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

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