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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

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.

PDSCL

Deleterious substance

JAN Code

554308-BULK:
554308-1G:4548173169378
554308-5G:4548173169385
554308-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
A synthesis of α-mesitylpropiomesitylene.
Fuson RC, et al.
The Journal of Organic Chemistry, 9(2), 187-192 (1944)
Mesitylacetic acid.
Fuson RC and Rabjohn N.
Organic Syntheses, 69-69 (1955)

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