Diethyl 1,2-Cyclohexanedicarboxylate - ≥95%(GC) , CAS No.10138-59-7

CAS: 10138-59-7 Cat. No.: D154138 Summenformel: C₁₂H₂₀O₄ Molekulargewicht: 228.29 EG-Nummer: 808-536-4

GRADE & PURITY ≥95%(GC)

Synonyms

BS-19092 | 1,2-diethyl cyclohexane-1,2-dicarboxylate | NSC 408342 | Diethyl 1,2-cyclohexanedicarboxylate # | Hexahydrophthalic acid diethyl ester | SCHEMBL234644 | CYCLOHEXANE-1,2-DICARBOXYLIC ACID, DIETHYL ESTER | WLN: L6TJ AVO2 BVO2 | 1,2-Cyclohexanedic

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BS-19092 | 1,2-diethyl cyclohexane-1,2-dicarboxylate | NSC 408342 | Diethyl 1,2-cyclohexanedicarboxylate # | Hexahydrophthalic acid diethyl ester | SCHEMBL234644 | CYCLOHEXANE-1,2-DICARBOXYLIC ACID, DIETHYL ESTER | WLN: L6TJ AVO2 BVO2 | 1,2-Cyclohexanedic

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 488182939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182939
• Kanonisches Lächeln: CCOC(=O)C1CCCCC1C(=O)OCC
• IUPAC Name: diethyl cyclohexane-1,2-dicarboxylate
• InChIKey: ZTUZDYWYNQDJKR-UHFFFAOYSA-N
• INCHI: 1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
• Isomere SMILES: CCOC(=O)C1CCCCC1C(=O)OCC
• RTECS: GU9275000
• Molekulargewicht: 228.29
• Reaxy-Rn: 2117120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2117120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 135°C/11mmHg(lit.)
• Molekulargewicht: 228.280 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 228.136 Da
• Monoisotopic Mass: 228.136 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.