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Merck
CN

63940

Mesityl oxide

technical, ≥90% (GC)

Synonym(s):

4-Methyl-3-penten-2-one

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About This Item

Linear Formula:
(CH3)2C=CHCOCH3
CAS Number:
141-79-7
Molecular Weight:
98.14
EC Number:
205-502-5
UNSPSC Code:
12352100
PubChem Substance ID:
24883024
Beilstein/REAXYS Number:
1361550
MDL number:
MFCD00008900

Key Documents

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InChI key

SHOJXDKTYKFBRD-UHFFFAOYSA-N

InChI

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

SMILES string

C\C(C)=C\C(C)=O

grade

technical

assay

≥90% (GC)

refractive index

n20/D 1.442 (lit.), n20/D 1.45

bp

130 °C (lit.)

mp

-41.5 °C (lit.)

density

0.858 g/mL at 25 °C (lit.)

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General description

Mesityl oxide can be synthesized by acetone–n-butanol–ethanol(ABE) fermentation of ligno-cellulose.

Application

Mesityl oxide can be used in the synthesis of diesel range alkanes via alkylation with 2-methylfuran in the presence of solid acid catalysts. It can also be used to synthesize methyl isobutyl ketone(MIBK), which has a wide range of applications as a solvent in inks and lacquers.

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

87.8 °F - closed cup

flash_point_c

31 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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"One-step MIBK synthesis: a new process from 2-propanol?
Cosimo D.I.J, et al.
J. Catal., 208(01), 114-123 (2002)
"Synthesis of diesel range alkanes with 2-methylfuran and mesityl oxide from lignocellulose"
Li S, et al.
Catalysis Today, 234, 91-99 (2014)
Christian Starkenmann
Journal of agricultural and food chemistry, 51(24), 7146-7155 (2003-11-13)
Cysteine conjugates, resulting from the addition of cysteine to alpha,beta-unsaturated carbonyl compounds, are important precursors of odorant sulfur compounds in food flavors. The aim of this work was to better understand this chemistry in the light of the unexpected double
Z Jia et al.
Electrophoresis, 22(6), 1112-1118 (2001-05-19)
A fast screening method for the determination of the dissociation constants (pKa) of acidic, basic, and multivalent compounds was developed by using pressure-assisted capillary electrophoresis (PACE). External air pressure was applied to shorten the analysis time. The separation efficiency decreases
I Z Atamna et al.
Journal of chromatography, 588(1-2), 315-320 (1991-12-27)
Expressions are formulated for the prediction of solute migration time and resolution as a function applied voltage and buffer concentration in capillary zone electrophoresis. The resolution equation assumes that solute diffusion is the only operative zone-broadening mechanism. A resolution surface
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