Tris(2-hydroxyethyl)methylammonium methylsulfate - ≥95% , CAS No.29463-06-7

CAS: 29463-06-7 Cat. No.: T342747 Molecular Weight: 275.32 EC Number: 249-655-6 PubChem CID: 122390

GRADE & PURITY ≥95%

Synonyms

tris(2-hydroxyethyl)methylammonium methyl sulfate | methyl sulfate;tris(2-hydroxyethyl)-methylazanium | W-110756 | METHYLTRIETHANOLAMMONIUM METHYL SULFATE | TRIETHANOLAMINE DIMETHYL SULFATE SALT | Q27255158 | Ethanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

tris(2-hydroxyethyl)methylammonium methyl sulfate | methyl sulfate;tris(2-hydroxyethyl)-methylazanium | W-110756 | METHYLTRIETHANOLAMMONIUM METHYL SULFATE | TRIETHANOLAMINE DIMETHYL SULFATE SALT | Q27255158 | Ethanaminium, 2-hydroxy-N, N-bis(2-hydroxyethyl

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488187673
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187673
• Canonical Smiles: C[N+](CCO)(CCO)CCO.COS(=O)(=O)[O-]
• IUPAC Name: methyl sulfate;tris(2-hydroxyethyl)-methylazanium
• InChIKey: WLTHPEHYBIKNHR-UHFFFAOYSA-M
• INCHI: 1S/C7H18NO3.CH4O4S/c1-8(2-5-9,3-6-10)4-7-11;1-5-6(2,3)4/h9-11H,2-7H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
• Isomeric SMILES: C[N+](CCO)(CCO)CCO.COS(=O)(=O)[O-]
• WGK Germany: 1
• PubChem CID: 122390
• Molecular Weight: 275.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Alkyl sulfates Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Quaternary ammonium salt - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
• 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

• Sensitivity: Moisture sensitive
• Flash Point(°F): >212 °F
• Flash Point(°C): >100 °C
• Boil Point(°C): >180° C at 760 mmHg
• Molecular Weight: 275.320 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 275.104 Da
• Monoisotopic Mass: 275.104 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 171.000
• 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. Puzhong Gu, Linlin Lu, Xiao Yang, Zhenyu Hu, Xiaoyu Zhang, Zejun Sun, Xing Liang, Muxiang Liu, Qi Sun, Jia Huang, Guoqing Zu.  (2024)  Highly Stretchable Semiconducting Aerogel Films for High-Performance Flexible Electronics.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202400589]

2. Zhenyu Hu, Puzhong Gu, Xiao Yang, Zejun Sun, Linlin Lu, Xing Liang, Xiaoyu Zhang, Zhiying Deng, Muxiang Liu, Guoqing Zu, Jia Huang.  (2024)  Nanoporous Conjugated Polymer Aerogel Films for High-Performance Electrochemical Transistors.  ADVANCED FUNCTIONAL MATERIALS,  34  (52): (2410788).  [PMID:] [10.1002/adfm.202410788]

3. Puzhong Gu, Xu Liu, Zhenyu Hu, Zejun Sun, Linlin Lu, Xiao Yang, Guoqing Zu, Jia Huang.  (2025)  Stretchable and Recyclable Nanoporous Semiconducting Polymer Aerogels for Highly Sensitive Biosensors, Electronic Skins, and Artificial Synapses.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202519376]

4. Lu Linlin, Liu Xu, Gu Puzhong, Hu Zhenyu, Liang Xing, Deng Zhiying, Sun Zejun, Zhang Xiaoyu, Yang Xiao, Yang Jie, Zu Guoqing, Huang Jia.  (2025)  Stretchable all-gel organic electrochemical transistors.  Nature Communications,  16  (1): (1-14).  [PMID:40268969] [10.1038/s41467-025-59240-0]