2-Propylfuran
Properties
- Molecular formula
- C7H10O
- Molar mass
- 110.16 g/mol
- Exact mass
- 110.0732 Da
- Density
- 0.882 g/mL (at 25 °C)
- Boiling point
- 115 °C
- logP
- 2.23Crippen estimate
- Polar surface area
- 13.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor70% of notifiers
- H317 May cause an allergic skin reaction10% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled10% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P271, P272, P280, P284, P302+P352, P303+P361+P353, P304+P340, P321, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, P501
Identifiers
CAS number
4229-91-8SMILES
CCCc1ccco1InChIKey
CPLJMYOQYRCCBY-UHFFFAOYSA-NInChI
InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Furan, 2-propyl-
- α-Propylfuran
- NSC 35553
Work with 2-Propylfuran
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-Butylfuran4466-24-476 % similar
2-Pentylfuran3777-69-373 % similar
2-Heptylfuran3777-71-770 % similar
2-Ethylfuran3208-16-060 % similar
2-[(Methylthio)methyl]furan1438-91-148 % similar
Difurfuryl sulfide13678-67-648 % similar
Difurfuryl disulfide4437-20-148 % similar
2-Furanmethanamine617-89-048 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds