Tetramethylammonium acetate - for synthesis, 50% solution in water , CAS No.10581-12-1

CAS: 10581-12-1 Cat. No.: T462857 Molecular Weight: 133.19 Beilstein Registry Number: 3571830 EC Number: 234-179-3 PubChem CID: 82741

GRADE & PURITY for Synthesis, 50% solution in water

Synonyms

MRYQZMHVZZSQRT-UHFFFAOYSA-M | tetramethylammonium acetate, tech. 90% | ML 1785713 | (S)-2-Ethoxy-3-{4-[2-(4-methanesulfonyloxy-phenyl)-ethoxy]-phenyl}-propionic acid | SCHEMBL106975 | Tetramethylammonium acetate, tech grade | MFCD00011630 | AKOS015837513

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MRYQZMHVZZSQRT-UHFFFAOYSA-M | tetramethylammonium acetate, tech. 90% | ML 1785713 | (S)-2-Ethoxy-3-{4-[2-(4-methanesulfonyloxy-phenyl)-ethoxy]-phenyl}-propionic acid | SCHEMBL106975 | Tetramethylammonium acetate, tech grade | MFCD00011630 | AKOS015837513

Specifications & Purity

for synthesis, 50% solution in water

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

for Synthesis

Names and Identifiers

• Canonical Smiles: CC(=O)[O-].C[N+](C)(C)C
• IUPAC Name: tetramethylazanium;acetate
• InChIKey: MRYQZMHVZZSQRT-UHFFFAOYSA-M
• INCHI: 1S/C4H12N.C2H4O2/c1-5(2,3)4;1-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1
• Isomeric SMILES: CC(=O)[O-].C[N+](C)(C)C
• WGK Germany: 3
• PubChem CID: 82741
• Molecular Weight: 133.19
• Beilstein: 3571830

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Not available
• Substituents: Tetraalkylammonium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 195°C(lit.)
• Molecular Weight: 133.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.11 Da
• Monoisotopic Mass: 133.11 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 44.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Zhongping Huang, Chaochao Tu, Huijun Liu, Lili Wang, Zuoyi Zhu, Ichi Watanabe.  (2020)  The composition analysis of free and bonded fatty acids in Polysorbate 80 by on-line two-step pyrolytic methylation-gas chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.105342]

2. Xinyi Gao, Jie Jiang, Junyao Shen, Shaoliang Lin, Ling Zhao, Zhenhao Xi.  (2024)  Alkali Metal/Quaternary Ammonium Salt Synergistic Catalytic System for the Efficient Synthesis of Biobased Poly(Isosorbide Carbonate).  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c01174]

3. Xubing Yang, Wei Liu, Pengfei Han, Yin You, Ju Lv, Xinyue Zhang, Ziyu Qin, Xueqiong Yin.  (2024)  Antimicrobial ion-imprinted chitosan-derived hydrogel with quaternary ammonium and thermoresponsive components for UO22+ adsorption.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38945327] [10.1016/j.ijbiomac.2024.133532]

4. Yanjie Niu, Mengyuan Wei, Fengshuo Xi, Shaoyuan Li, Wenhui Ma, Liangtai Wang, Haoyang Li, Jijun Lu, Xiuhua Chen, Kuixian Wei, Bin Luo.  (2024)  Preparation of WSi@SiOx/Ti3C2 from photovoltaic silicon waste as high-performance anode materials for lithium-ion batteries.  iScience,      [PMID:39262810] [10.1016/j.isci.2024.110714]