2-Acetyl-5-methylfuran
Properties
- Molecular formula
- C7H8O2
- Molar mass
- 124.14 g/mol
- Exact mass
- 124.0524 Da
- Density
- 1.0655 g/mL (at 20 °C)
- Melting point
- 2 °C
- Boiling point
- 74 °C
- logP
- 1.79Crippen estimate
- Polar surface area
- 30.2 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 1,594 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1193-79-9SMILES
CC(=O)c1ccc(C)o1InChIKey
KEFJLCGVTHRGAH-UHFFFAOYSA-NInChI
InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Ethanone, 1-(5-methyl-2-furanyl)-
- Ketone, methyl 5-methyl-2-furyl
- 1-(5-Methyl-2-furanyl)ethanone
- 2-Methyl-5-acetylfuran
- 5-Acetyl-2-methylfuran
- 5-Methyl-2-furylethanone
- NSC 80404
- 1-(5-Methylfuran-2-yl)ethanone
- 2-Acetyl-5-methylfural
- 1-(5-Methylfuran-2-yl)ethan-1-one
Work with 2-Acetyl-5-methylfuran
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
5-Methylfuran-2-carbonyl chloride14003-11-357 % similar
5-Methyl-2-furoic acid1917-15-357 % similar
1-(5-Methyl-2-furanyl)-1-propanone10599-69-653 % similar
Methyl 5-methyl-2-furancarboxylate2527-96-053 % similar
2,5-Dimethylfuran625-86-546 % similar
3-Acetyl-2,5-dimethylfuran10599-70-945 % similar
2-Acetylfuran1192-62-745 % similar
2-Acetylbenzofuran1646-26-043 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds