2-Butylfuran
Properties
- Molecular formula
- C8H12O
- Molar mass
- 124.18 g/mol
- Exact mass
- 124.0888 Da
- Density
- 0.8983 g/mL (at 25 °C)
- Boiling point
- 137–138 °C
- logP
- 2.62Crippen estimate
- Polar surface area
- 13.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H226 Flammable liquid and vapor19.1% of notifiers
- H302 Harmful if swallowed80.9% of notifiers
- H318 Causes serious eye damage80.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
4466-24-4SMILES
CCCCc1ccco1InChIKey
NWZIYQNUCXUJJJ-UHFFFAOYSA-NInChI
InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Furan, 2-butyl-
- 2-n-Butylfuran
Work with 2-Butylfuran
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
2-Pentylfuran3777-69-388 % similar
2-Heptylfuran3777-71-785 % similar
2-Propylfuran4229-91-876 % similar
2-Ethylfuran3208-16-056 % similar
Furfuryl pentanoate36701-01-650 % similar
2-(Tributylstannyl)furan118486-94-548 % similar
n-Butylbenzene104-51-848 % similar
6-Amyl-α-pyrone27593-23-346 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds