Mesityl oxide

C₆H₁₀OCAS 141-79-798.14 g/mol

Open in Covalent MOL file

Alkene Ketone

Properties

Molecular formula: C₆H₁₀O
Molar mass: 98.14 g/mol
Exact mass: 98.0732 Da
Density: 0.8592 g/mL (at 15 °C)
Melting point: −52.9 °C
Boiling point: 130 °C
Flash point: 25 °C (closed cup)
Water solubility: miscible
logP: 1.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H332 Harmful if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

141-79-7

SMILES

CC(=O)C=C(C)C

InChIKey

SHOJXDKTYKFBRD-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names

3-Penten-2-one, 4-methyl-
4-Methyl-3-penten-2-one
Isobutenyl methyl ketone
Isopropylideneacetone
Methyl isobutenyl ketone
2-Methyl-2-penten-4-one
4-Methyl-3-pentene-2-one
Methyl 2-methyl-1-propenyl ketone
Methyl 2,2-dimethylvinyl ketone
2-Methyl-4-oxo-2-pentene
2,2-Dimethylvinyl methyl ketone
NSC 38717

Reactions

Mesityl oxideproduct

Work with Mesityl oxide

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

Phorone504-20-153 % similar 4-Amino-3-penten-2-one1118-66-750 % similar 6-Methylhepta-3,5-dien-2-one1604-28-048 % similar 3-Methyl-2-butenoyl chloride3350-78-545 % similar Methylglyoxal78-98-845 % similar 3-Penten-2-one625-33-243 % similar Methyl vinyl ketone78-94-443 % similar 4-[(Trimethylsilyl)oxy]-3-penten-2-one13257-81-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia