4-Methoxy-4-methyl-2-pentanone
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.9 g/mL (at 25 °C)
- Melting point
- −30 °C
- Boiling point
- 147–163 °C
- Flash point
- 60 °C (closed cup)
- Water solubility
- 280 g/L (25 °C)
- logP
- 1.39Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 606-023-00-8), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, P501
Identifiers
CAS number
107-70-0SMILES
COC(C)(C)CC(C)=OInChIKey
KOKPBCHLPVDQTK-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2-Pentanone, 4-methoxy-4-methyl-
- Pent-oxone solvent
- Pentoxone
- 2-Methoxy-2-methyl-4-pentanone
- 4-Methyl-4-methoxy-2-pentanone
- ME 6K
- NSC 48083
Work with 4-Methoxy-4-methyl-2-pentanone
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
4,4-Dimethyl-2-pentanone590-50-150 % similar
2-Methyl-2-pentanol-4-one123-42-245 % similar
4-Mercapto-4-methyl-2-pentanone19872-52-745 % similar
4-Amino-4-methyl-2-pentanone625-04-745 % similar
4,4,4-Trifluorobutan-2-one2366-70-343 % similar
4-(Methylthio)-4-methyl-2-pentanone23550-40-542 % similar
tert-Amyl methyl ether994-05-841 % similar
Methoxyacetone5878-19-339 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.