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554308

Sigma-Aldrich

2,4,6-Trimethylphenylacetonitrile

97%

Synonym(s):

Mesitylacetonitrile

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About This Item

Linear Formula:
(CH3)3C6H2CH2CN
CAS Number:
34688-71-6
Molecular Weight:
159.23
EC Number:
252-151-9
MDL number:
MFCD00013815
UNSPSC Code:
12352100
PubChem Substance ID:
24879390
NACRES:
NA.22

Assay

97%

mp

76-80 °C (lit.)

SMILES string

Cc1cc(C)c(CC#N)c(C)c1

InChI

1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3

InChI key

SDKQOGSGNPGPRN-UHFFFAOYSA-N

General description

2,4,6-Trimethylphenylacetonitrile is formed as an intermediate during the synthesis of mesitylacetic acid.

Application

2,4,6-Trimethylphenylacetonitrile (Mesitylacetonitrile) may be used in the preparation of 2,4,6-trimethyl-,9-phenethylamine hydrochloride. It may also be employed in the synthesis of the following compounds:
  • ethyl mesitylacetate
  • α-mesitylacetoacetonitrile
  • mesitylacetone
  • β-hydroxy-a-mesitylacrylonitrile
  • α-mesitylpropionic acid
  • α-mesityl-8-phenylpropionitrile

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

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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Certificates of Analysis (COA)

Lot/Batch Number
12125CC
05630JO

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A synthesis of α-mesitylpropiomesitylene.
Fuson RC, et al.
The Journal of Organic Chemistry, 9(2), 187-192 (1944)
Mescaline analogs. Iii. 2, 4, 6-trialkyl-and 3, 4-dihydroxy-5-methoxy-β-phenethylamines.
Benington F, et al.
The Journal of Organic Chemistry, 20(9), 187-192 (1944)
Mesitylacetic acid.
Fuson RC and Rabjohn N.
Organic Syntheses, 69-69 (1955)

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