(TCA) - ≥99% , CAS No.6053-46-9

CAS: 6053-46-9 Cat. No.: T1507230 Formula: C₁₀H₈O₆ Molecular Weight: 224.17 EC Number: 810-995-0

GRADE & PURITY ≥99%

Storage

Room temperature

Specifications

Specifications & Purity

≥99%

Storage

Room temperature

Purity

≥99%

Names and Identifiers

• Canonical Smiles: [H]C12CC([H])(C3C1CC(=O)OC3=O)C(=O)OC2=O
• IUPAC Name: Tetrahydro-1H-5,9-methanopyrano[3,4-d]oxepine-1,3,6,8(4H)-tetrone
• InChIKey: QVEIRZNRYOJFCL-UHFFFAOYSA-N
• INCHI: InChI=1S/C10H8O6/c11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12/h3-5,7H,1-2H2
• Isomeric SMILES: C1C2C3CC(=O)OC(=O)C3C1C(=O)OC2=O
• Molecular Weight: 224.17
• Reaxy-Rn: 31812552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31812552&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Oxepanes Delta valerolactones Oxanes Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Caprolactone - Delta valerolactone - Delta_valerolactone - Oxepane - Oxane - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four 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

• Melt Point(°C): 201 °C