Tris(2-ethylhexyl)amine - ≥99% , CAS No.1860-26-0

CAS: 1860-26-0 Cat. No.: T299065 Molecular Weight: 353.68 Beilstein Registry Number: 2087270 EC Number: 217-461-0 PubChem CID: 102705

GRADE & PURITY ≥99%

Synonyms

TEHA | Trioctylamine

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Product introduction：

Tris-(2-ethylhexyl)amine (Tris-2-EHA) is a tertiary trialkylamine. The raw material for Tris-2-EHA is 2-Ethylhexanol, an oxo alcohol based on Propene (steamcracker C3 value chain). 

Application: 

Tris-2-EHA is used in different applications, however, the main volumes are consumed for the production of additives for powder coatings. 

Specifications

Synonyms

TEHA | Trioctylamine

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504756530
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756530
• Canonical Smiles: CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC
• IUPAC Name: 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine
• InChIKey: BZUDVELGTZDOIG-UHFFFAOYSA-N
• INCHI: 1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
• Isomeric SMILES: CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC
• WGK Germany: 1
• PubChem CID: 102705
• Molecular Weight: 353.68
• Beilstein: 2087270
• Reaxy-Rn: 2087270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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: Air sensitive
• Flash Point(°F): 228.2 °F
• Flash Point(°C): 163°C(lit.)
• Molecular Weight: 353.700 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 353.402 Da
• Monoisotopic Mass: 353.402 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Menglei Zhang, Hao Song, Chenghang Zheng, Zhenglong Lin, Yi Liu, Weihong Wu, Xiang Gao.  (2020)  Highly efficient recovery of molybdenum from spent catalyst by an optimized process.  JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION,      [PMID:32633619] [10.1080/10962247.2020.1792377]