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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:
4408-60-0
Molecular Weight:
178.23
EC Number:
224-556-0
MDL number:
MFCD00014368
UNSPSC Code:
12352100
PubChem Substance ID:
24879388
NACRES:
NA.22

Assay

97%

form

solid

mp

167-171 °C (lit.)

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

554286-25G:
554286-BULK:
554286-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS2978
MKBP3079V
MKBB0466
36297MJ
06201PH

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

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