Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate

Base Information

• Chemical Name: Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
• CAS No.: 77851-07-1
• Molecular Formula: C13H22 O2
• Molecular Weight: 210.31258
• European Community (EC) Number: 278-776-7
• UNII: JO2SD01W0B
• DSSTox Substance ID: DTXSID7052525
• Nikkaji Number: J319.692E
• Wikidata: Q27281595
• Mol file: 77851-07-1.mol

Synonyms:Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate;77851-07-1;JO2SD01W0B;2-Cyclohexene-1-carboxylic acid, 2,3,6,6-tetramethyl-, ethyl ester;EINECS 278-776-7;Ethyl 2,3,6,6-tetramethyl-2-cyclohexene-carboxylate (and isomers);UNII-JO2SD01W0B;SCHEMBL113909;DTXSID7052525;Q27281595;2,3,6,6-Tetramethyl-2-cyclohexene-1-carboxylic acid ethyl ester;ethyl 2,3,6,6 - tetramethylcyclohex - 2 - ene - 1 - carboxylate

Chemical Property of Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0208mmHg at 25°C
• Boiling Point: 251.1°C at 760 mmHg
• Flash Point: 97.2°C
• PSA: 26.30000
• Density: 0.921g/cm³
• LogP: 3.32210
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

2-CYCLOHEXENE-1-CARBOXYLIC ACID, 2,3,6,6-TETRAMETHYL ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(=C(CCC1(C)C)C)C