Triethyl Methanetricarboxylate - ≥97%(GC) , CAS No.6279-86-3

CAS: 6279-86-3 Cat. No.: T161469 Molecular Weight: 232.23 Beilstein Registry Number: 1793650 EC Number: 228-477-2 PubChem CID: 80471

GRADE & PURITY ≥97%(GC)

Synonyms

Methanetricarboxylic acid triethyl ester | Triethyl Carboxymalonate | triethyl methantricarboxylate | FT-0630107 | STK315800 | delta-2:2'-Bis(1,3-dithiazole) | DTXSID50211866 | Carboxymalonic Acid Triethyl Ester | Diethyl 2-(ethoxycarbonyl)malonate | InCh

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Methanetricarboxylic acid triethyl ester | Triethyl Carboxymalonate | triethyl methantricarboxylate | FT-0630107 | STK315800 | delta-2:2'-Bis(1, 3-dithiazole) | DTXSID50211866 | Carboxymalonic Acid Triethyl Ester | Diethyl 2-(ethoxycarbonyl)malonate | InCh

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504755465
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755465
• Canonical Smiles: CCOC(=O)C(C(=O)OCC)C(=O)OCC
• IUPAC Name: triethyl methanetricarboxylate
• InChIKey: AGZPNUZBDCYTBB-UHFFFAOYSA-N
• INCHI: 1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3
• Isomeric SMILES: CCOC(=O)C(C(=O)OCC)C(=O)OCC
• WGK Germany: 3
• PubChem CID: 80471
• Molecular Weight: 232.23
• Beilstein: 1793650
• Reaxy-Rn: 1793645

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - 1,3-dicarbonyl compound - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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

• Refractive Index: 1.42
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 253 °C
• Melt Point(°C): 25 °C
• Molecular Weight: 232.230 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 232.095 Da
• Monoisotopic Mass: 232.095 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 217.000
• 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: 1