ジエチル 1,2-シクロヘキサンジカルボキシレート - ≥95%以上(GC) , CAS No.10138-59-7

CAS: 10138-59-7 Cat. No.: D154138 分子式: C₁₂H₂₀O₄ 分子量: 228.29 EC番号: 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

ノーマル

Specifications

同義語

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

仕様と純度

≥95%以上(GC)

保管条件

Room temperature

入荷

ノーマル

純度

≥95%(GC)

名前と識別子

パブケム・シド

488182939

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182939

カノニカル・スマイル

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

異性体SMILES

CCOC(=O)C1CCCCC1C(=O)OCC

RTECS

GU9275000

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 沸点（°C）: 135°C/11mmHg(lit.)
• 分子量: 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

よくある質問

How is this product shipped?

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