Cyclohexyl formate
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 1.052–1.06 g/mL
- Melting point
- 72.6 °C
- Boiling point
- 163 °C
- logP
- 1.49Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor93.7% of notifiers
Aggregated from 1,399 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
4351-54-6SMILES
O=COC1CCCCC1InChIKey
VUXKVKAHWOVIDN-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Formic acid, cyclohexyl ester
- Cyclohexanol, formate
- NSC 11766
Work with Cyclohexyl 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
Cyclohexyl vinyl ether2182-55-050 % similar
Cyclohexanecarboxaldehyde2043-61-038 % similar
Isopropyl formate625-55-838 % similar
Cyclooctanecarbaldehyde6688-11-538 % similar
2-(Cyclohexyloxy)ethanol1817-88-537 % similar
Cyclohexyl acrylate3066-71-535 % similar
1,2:7,8-Diepoxyoctane2426-07-535 % similar
Cyclohexyl carbonochloridate13248-54-934 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.