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Mesityl oxide information


Mesityl oxide
Mesityl oxide
Names
Preferred IUPAC name
4-Methylpent-3-en-2-one
Other names
Mesityl oxide
Isobutenyl methyl ketone
Methyl isobutenyl ketone
Isopropylidene acetone
Identifiers
CAS Number
  • 141-79-7 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:89993
ChEMBL
  • ChEMBL3185916
ChemSpider
  • 8526 checkY
ECHA InfoCard 100.005.002 Edit this at Wikidata
EC Number
  • 205-502-5
PubChem CID
  • 8858
RTECS number
  • SB4200000
UNII
  • 77LAC84669
UN number 1229
CompTox Dashboard (EPA)
  • DTXSID1029170
InChI
  • InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 checkY
    Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N checkY
  • InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
SMILES
  • O=C(\C=C(/C)C)C
Properties
Chemical formula
 C6H10O
Molar mass 98.145 g·mol−1
Appearance Oily, colorless to light-yellow liquid[1]
Odor peppermint- or honey-like[1]
Density 0.858 g/cm3
Melting point −53 °C (−63 °F; 220 K)
Boiling point 129.5 °C (265.1 °F; 402.6 K)
Solubility in water
 3% (20°C)[1]
Solubility in other solvents Soluble in most organic solvents
Vapor pressure 9 mmHg (20°C)[1]
Refractive index (nD)
 1.442
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 flammable
GHS labelling:
Pictograms
 GHS02: FlammableGHS07: Exclamation mark
Signal word
 Warning
Hazard statements
 H226, H302, H312, H332
Precautionary statements
 P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P322, P330, P363, P370+P378, P403+P235, P501
Flash point 31 °C; 87 °F; 304 K[1]
Explosive limits 1.4–7.2%[1]
Lethal dose or concentration (LD, LC):
LD50 (median dose)
 1120 mg/kg (rat, oral)
1000 mg/kg (rabbit, oral)
710 mg/kg (mouse, oral)[2]
LC50 (median concentration)
 1000 mg/m3 (rat, 4 hr)
9000 mg/m3 (rat, 4 hr)
10,000 mg/m3 (mouse, 2 hr)
2000 mg/m3 (guinea pig, 7 hr)[2]
NIOSH (US health exposure limits):
PEL (Permissible)
 TWA 25 ppm (100 mg/m3)[1]
REL (Recommended)
 TWA 10 ppm (40 mg/m3)[1]
IDLH (Immediate danger)
 1400 ppm[1]
Related compounds
Related compounds
 diacetone alcohol
acetone,
benzylideneacetone
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Mesityl oxide is a α,β-unsaturated ketone with the formula CH3C(O)CH=C(CH3)2. This compound is a colorless, volatile liquid with a honey-like odor.[3]

  1. ^ a b c d e f g h i NIOSH Pocket Guide to Chemical Hazards. "#0385". National Institute for Occupational Safety and Health (NIOSH).
  2. ^ a b "Mesityl oxide". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
  3. ^ Merck Index, 14th Edition

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Mesityl oxide

Last Update:

Mesityl oxide is a α,β-unsaturated ketone with the formula CH3C(O)CH=C(CH3)2. This compound is a colorless, volatile liquid with a honey-like odor. It...

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Diacetone alcohol

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It undergoes dehydration to give the α,β-unsaturated ketone called mesityl oxide. Hydrogenation of diacetone alcohol gives hexylene glycol. Condensation...

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Aleksandr Dianin

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alcohol and (by dehydration) mesityl oxide in both acidic and basic conditions. The in situ generation of mesityl oxide adds another reactive olefin to...

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Methyl isobutyl ketone

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readily dehydrates to give 4-methylpent-3-en-2-one (commonly, mesityl oxide). Mesityl oxide is then hydrogenated to give MIBK. Industrially, these three...

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Chloroacetone

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suppliers contains 5% impurities including mesityl oxide, which is not removed by distillation. Mesityl oxide can be oxidized using acidified KMnO4 to form...

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C6H10O

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molecular formula C6H10O may refer to: Cyclohexanone Cyclohexene oxide cis-3-Hexenal Mesityl oxide 3-Methyl-3-penten-2-one Methylpentynol Methylene tetrahydropyran...

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Acetone

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and ethyl alcohol. Names derived from mesit include mesitylene and mesityl oxide which were first synthesised from acetone. Unlike many compounds with...

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Mesitylene

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its traditional source. It is a precursor to diverse fine chemicals. The mesityl group (Mes) is a substituent with the formula C6H2Me3 and is found in various...

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Acetone peroxide

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und Mesityloxyd" [On the effect of hydrogen peroxide on acetone and mesityl oxide]. Berichte der Deutschen Chemischen Gesellschaft (in German). 28 (2):...

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Phorone

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acid-catalysed twofold aldol condensation of three molecules of acetone. Mesityl oxide is obtained as an intermediate and can be isolated. Crude phorone can...

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Dibenzylideneacetone

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über die Constitution des Acetophorons" [On compounds of acetone and mesityl oxide with benzaldehyde and on the composition of phorone]. Berichte der Deutschen...

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Michael addition reaction

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and diethyl fumarate (Michael acceptor), that of diethyl malonate and mesityl oxide (forming Dimedone), that of diethyl malonate and methyl crotonate, that...

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List of UN numbers 1201 to 1300

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or mercaptan mixtures, liquid, flammable, toxic, n.o.s. UN 1229 3 Mesityl oxide UN 1230 3 Methanol UN 1231 3 Methyl acetate UN 1232 ? (UN No. no longer...

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Dimedone

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to test for the aldehyde functional group. Dimedone is prepared from mesityl oxide and diethyl malonate via a Michael addition reaction. Dimedone is in...

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Isophorone

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by the aldol condensation of acetone using KOH. Diacetone alcohol, mesityl oxide, and 3-hydroxy-3,5,5-trimethylcyclohexan-1-one are intermediates. A...

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Immediately dangerous to life or health

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1304 Mercury (organo) alkyl compounds 2 mg/m3 - merc-hg 141-79-7 0814 Mesityl oxide 5628 mg/m3 1400 ppm 141797 (10% Lower explosive limit LEL) 72-43-5 1306...

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Trimesitylvanadium

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Trimesitylvanadium (mesityl or Mes = 2,4,6-trimethylphenyl) is one of the organovanadium complexes with vanadium in an oxidation state of 3. This compound...

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Transition metal NHC complex

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ligand is IPr, which features diisopropylphenyl groups in place of the mesityl groups. NHCs with saturated backbones include SIMes and SIPr. Usually,...

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Dimesityldioxirane

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Dimesityldioxirane is a substituted dioxirane with two mesityl groups attached to the dioxirane carbon. It is a colorless crystalline substance stable...

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Photoredox catalysis

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Hydrotrifluoromethylation of styrenes and aliphatic alkenes can be effected with a mesityl acridinium organic photoredox catalyst and Langlois' reagent as the source...

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Transition metal oxo complex

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exceptions to this rule have been retracted. The iridium oxo complex Ir(O)(mesityl)3 may appear to be an exception to the oxo-wall, but it is not because...

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Chemical symbol

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pentamethylcyclopentadienyl Cy: cyclohexyl Cyp: cyclopentyl Et: ethyl Me: methyl Mes: mesityl (2,4,6-trimethylphenyl) Ms: mesyl (methylsulfonyl) Np: neopentyl – (also...

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