Cyclohexanone diethyl ketal - ≥97% , CAS No.1670-47-9

CAS: 1670-47-9 Cat. No.: C167789 Formule: C₁₀H₂₀O₂ Poids moléculaire: 172.26 Numéro CE: 216-798-0

QUALITÉ & PURETÉ ≥97%

Synonyms

Cyclohexanone diethyl ketal, 97% | 1,1-diethoxy cyclohexane | BS-52913 | BAA67047 | E75792 | MWUDABUKTZAZCX-UHFFFAOYSA-N | AKOS000278169 | W-107913 | Cyclohexanone diethyl ketal | cyclohexanone diethylketal | UNII-84QSY8U161 | 1,1-Diethoxycyclohexane | 1,

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Cyclohexanone diethyl ketal (1,1-Diethoxycyclohexane) reacts with 1,3,2-benzodioxaborole [catecholborane (CB)] to form the corresponding ether.It undergoes thermal elimination reaction in gas-phase to yield 1-ethoxycyclohexene and ethanol.

Spécifications

Synonymes

Cyclohexanone diethyl ketal, 97% | 1,1-diethoxy cyclohexane | BS-52913 | BAA67047 | E75792 | MWUDABUKTZAZCX-UHFFFAOYSA-N | AKOS000278169 | W-107913 | Cyclohexanone diethyl ketal | cyclohexanone diethylketal | UNII-84QSY8U161 | 1,1-Diethoxycyclohexane | 1,

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504754795

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754795

Sourires canoniques

CCOC1(CCCCC1)OCC

IUPAC Name

1,1-diethoxycyclohexane

InChIKey

MWUDABUKTZAZCX-UHFFFAOYSA-N

INCHI

1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3

Isomères SMILES

CCOC1(CCCCC1)OCC

WGK Allemagne

2

Poids moléculaire

172.26

Reaxy-Rn

1851801

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1851801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 140 °F
• Point d'éclair (°C): 60 °C
• Point d'ébullition (°C): 76-78°C/20mmHg
• Poids moléculaire: 172.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 172.146 Da
• Monoisotopic Mass: 172.146 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 109.000
• 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