Structure via PubChem · Public domain (PubChem)
mesityl oxide
Sign in to saveAlso known as Isobutenyl methyl ketone, Isopropylideneacetone, Methyl isobutenyl ketone, 4-Methyl-3-penten-2-one, 1-Methylpent-2-en-4-one, 4-Methyl-3-pentene-2-one, Isopropylidene acetone, Methyl 2-methyl-1-propenyl ketone
chemical compound
Chemical data
- Formula
- C6H10O
- Molecular weight
- 98.14 g/mol
- IUPAC name
- 4-methylpent-3-en-2-one
- SMILES
- CC(=CC(=O)C)C
- InChIKey
- SHOJXDKTYKFBRD-UHFFFAOYSA-N
- XLogP
- 1.4
- Polar surface area
- 17.1 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 98.073
Show 17 more facts
- lower flammable limit
- 1.4
- upper flammable limit
- 7.2
- immediately dangerous to life or health
- 5628
- melting point
- -59.0
- boiling point
- 130
- ionization energy
- 9.08
- chemical formula
- C₆H₁₀O
- time-weighted average exposure limit
- 100
- NIOSH Pocket Guide ID
- 0385
- density
- 0.86
- vapor pressure
- 9
- flash point
- 87
- solubility
- 3
- Commons category
- Mesityl oxide
- canonical SMILES
- CC(=CC(=O)C)C
- found in taxon
- Bistorta manshuriensis
- isomeric SMILES
- CC(=O)/C=C(\C)/C
via Wikidata · CC0