2,6-Dimethyl-γ-pyrone
Properties
- Molecular formula
- C7H8O2
- Molar mass
- 124.14 g/mol
- Exact mass
- 124.0524 Da
- Melting point
- 132 °C
- Boiling point
- 251 °C
- logP
- 1.26Crippen estimate
- Polar surface area
- 30.2 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1004-36-0SMILES
Cc1cc(=O)cc(C)o1InChIKey
VSYFZULSKMFUJJ-UHFFFAOYSA-NInChI
InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 4H-Pyran-4-one, 2,6-dimethyl-
- 2,6-Dimethyl-4H-pyran-4-one
- 2,6-Dimethyl-4-pyrone
- 2,6-Dimethyl-4-pyranone
- NSC 48105
- NSC 8735
Work with 2,6-Dimethyl-γ-pyrone
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
4,6-Dimethylcoumalin675-09-246 % similar
2,5-Dimethylfuran625-86-545 % similar
Triacetic acid lactone675-10-543 % similar
2,6-Dimethyl-4-pyridinol13603-44-642 % similar
Chelidonic acid99-32-139 % similar
2,5-Dimethyl-3-furancarboxylic acid636-44-239 % similar
2,5-Dimethyl-3-furanthiol55764-23-337 % similar
3-Acetyl-2,5-dimethylfuran10599-70-935 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds