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63940

Sigma-Aldrich

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
Beilstein:
1361550
EC Number:
205-502-5
MDL number:
MFCD00008900
UNSPSC Code:
12352100
PubChem Substance ID:
24883024

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.)

SMILES string

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

InChI

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

InChI key

SHOJXDKTYKFBRD-UHFFFAOYSA-N

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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.

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Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

87.8 °F - closed cup

Flash Point(C)

31 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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