Furfuryl pentanoate
Properties
- Molecular formula
- C10H14O3
- Molar mass
- 182.22 g/mol
- Exact mass
- 182.0943 Da
- Density
- 1.024–1.031 g/mL
- Boiling point
- 228 °C
- logP
- 2.51Crippen estimate
- Polar surface area
- 39.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H302 Harmful if swallowed99.2% of notifiers
Aggregated from 1,375 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
36701-01-6SMILES
CCCCC(=O)OCc1ccco1InChIKey
HRYAVTBTUKVHBU-UHFFFAOYSA-NInChI
InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pentanoic acid, 2-furanylmethyl ester
- Furfuryl valerate
- Oxaromate 884
Work with Furfuryl pentanoate
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
Furfuryl propanoate623-19-868 % similar
Ethyl 2-furanpropanoate10031-90-057 % similar
Furfural acetate623-17-655 % similar
Benzyl butyrate103-37-751 % similar
Ethyl 3-(furfurylthio)propionate94278-27-051 % similar
2-Butylfuran4466-24-450 % similar
2-Pentylfuran3777-69-349 % similar
Kojic acid dipalmitate79725-98-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds