2,5-Dimethylfuran
Properties
- Molecular formula
- C6H8O
- Molar mass
- 96.13 g/mol
- Exact mass
- 96.0575 Da
- Density
- 0.9 g/mL (at 20 °C)
- Melting point
- −62.8 °C
- Boiling point
- 93.5 °C
- Flash point
- -1 °C
- Water solubility
- < 1 g/L (22.5 °C)
- logP
- 1.90Crippen estimate
- Polar surface area
- 13.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor37.2% of notifiers
- H302 Harmful if swallowed37.2% of notifiers
Aggregated from 145 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
625-86-5SMILES
Cc1ccc(C)o1InChIKey
GSNUFIFRDBKVIE-UHFFFAOYSA-NInChI
InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Furan, 2,5-dimethyl-
- NSC 6220
- 2-Methyl-5-methylfuran
Work with 2,5-Dimethylfuran
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-Methyl-5-(methylthio)furan13678-59-652 % similar
5-Methyl-2-furanmethanamine14003-16-850 % similar
5-Methyl-2-furoic acid1917-15-350 % similar
5-Methyl-2-furanmethanol3857-25-850 % similar
5-Methylfurfural620-02-050 % similar
5-Methyl-2-furanboronic Acid62306-79-050 % similar
2-Acetyl-5-methylfuran1193-79-946 % similar
2,6-Dimethyl-γ-pyrone1004-36-045 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.