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Tetramethylammonium acetate

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Name

Tetramethylammonium acetate

EINECS 234-179-3
CAS No. 10581-12-1 Density
Solubility Melting Point 184 °C
Formula C4H12N.C2H3O2 Boiling Point
Molecular Weight 133.19 Flash Point
Transport Information Appearance clear colorless to pale yellow solution
Safety 26-36-37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 10581-12-1 (Tetramethylammonium acetate) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Methanaminium, N,N,N-trimethyl-, acetate;Methanaminium, N,N, N-trimethyl-, acetate;Ammonium, tetramethyl-, acetate (8CI);Ammonium, tetramethyl-, acetate;

 

Tetramethylammonium acetate Specification

The IUPAC name of Tetramethyl ammonium acetate is tetramethylazanium acetate. With the CAS registry number 10581-12-1, it is also named as Methanaminium, N,N,N-trimethyl-, acetate. The product's categories are Quarternary Ammonium Salts; Ammonium Polyhalides, etc. (Quaternary); Quaternary Ammonium Compounds; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. Besides, it is clear colorless to pale yellow solution, which should be stored in a sealed, cool and dry place at -20 °C. In addition, its molecular formula is C4H12N.C2H3O2 and molecular weight is 133.19.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.89; (4)ACD/LogD (pH 7.4): -2.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)EINECS: 234-179-3; (13)Melting point: 184 °C.

Uses of Tetramethyl ammonium acetate: it can react with 1,3-Dimethyl-imidazolidin-2-one to get (1R,4S)-4-Hydroxycyclopent-2-en-1-essigsaeure-methylester.



This reaction will occur at temperature of 95 °C for 13 hours. The yield is 75.4 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(=O)[O-].C[N+](C)(C)C
(2)InChI: InChI=1S/C4H12N.C2H4O2/c1-5(2,3)4;1-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1
(3)InChIKey: MRYQZMHVZZSQRT-UHFFFAOYSA-M 

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