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554286

Sigma-Aldrich

Mesitylacetic acid

97%

Synonym(s):

2,4,6-Trimethylphenylacetic acid

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About This Item

Linear Formula:
(CH3)3C6H2CH2CO2H
CAS Number:
Molecular Weight:
178.23
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

solid

mp

167-171 °C (lit.)

functional group

carboxylic acid

SMILES string

Cc1cc(C)c(CC(O)=O)c(C)c1

InChI

1S/C11H14O2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H,12,13)

InChI key

CQWMQAKKAHTCSC-UHFFFAOYSA-N

General description

α2-Chloroisodurene and mesitylacetonitrile are formed as intermediates during the synthesis of mesitylacetic acid. Mesitylacetic acid can be synthesized from mesitylene.

Application

Mesitylacetic acid may be used to synthesize 2,4,6-trimethvlbenzyl mesitylacetate.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Synthesis of Mesitylacetic Acid.
Li H, et al.
Jing Xi Hua Gong Zhong Jian Ti / Fine Chemical Intermediates, 1, 009-009 (2010)
Reaction Paths in the Kolbe Synthesis.
Rand L and Mohar AF.
The Journal of Organic Chemistry, 30(11), 3885-3888 (1965)
Mesitylacetic acid.
Fuson RC and Rabjohn N.
Organic Syntheses, 69-69 (1955)

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