500688-80-2

Basic information

• Product Name: Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)
• Synonyms: Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)
• CAS NO: 500688-80-2
• Molecular Formula: C9H14O3
• Molecular Weight: 170.20566
• Product Categories: ACETYLGROUP
• Mol File: 500688-80-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 314.5±35.0 °C(Predicted)
• Appearance: /
• Density: 1.135±0.06 g/cm3(Predicted)
• PKA: 4.68±0.10(Predicted)
• CAS DataBase Reference: Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)(500688-80-2)
• EPA Substance Registry System: Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)(500688-80-2)

Safety Data

• Hazardous Substances Data: 500688-80-2(Hazardous Substances Data)

Upstream product

• 3685-22-1 4-hydroxycyclohexanecarboxylic acid 
• 75-36-5 acetyl chloride 
• 586-89-0 4-acetyl-benzoic acid 

Downstream Products

• 943976-22-5 Mefway 
• 943962-58-1 4-(hydroxymethyl)-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)cyclohexanecarboxamide 
• 120077-76-1 trans-4-O-acetylcyclohexanecarboxylic acid methyl ester 

Relevant articles and documents

Trans-4-acetylcyclohexanecarboxylic acid and (±)-trans-2-acetylcyclohexanecarboxylic acid: Hydrogen-bonding patterns in two isomeric keto acids

Both title compounds, C9H14O3, display carboxyl-dimer hydrogen-bonding patterns. The 4-acetyl isomer adopts a chiral conformation with negligible disordering of the methyl and carboxyl groups and forms centrosymmetric dime