554308
2,4,6-Trimethylphenylacetonitrile
97%
Synonym(s):
Mesitylacetonitrile
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About This Item
Linear Formula:
(CH3)3C6H2CH2CN
CAS Number:
Molecular Weight:
159.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
252-151-9
MDL number:
Assay:
97%
assay
97%
mp
76-80 °C (lit.)
functional group
nitrile
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
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 554308-5G | 04061832100906 |