38289-28-0

Basic information

• Product Name: trans-4-Butylcyclohexanecarboxylic acid
• Synonyms: TRANS-4-N-BUTYLCYCLOHEXANECARBOXYLIC ACID;TRANS-4-BUTYLCYCLOHEXANECARBOXYLIC ACID;4-Trans-butyl-cyclohexane carboxylic acid;Trans-4-ButylcyclohexaneCarboxylicacid,4HaC11H20O2;4-Butylcyclohexane-1-carboxylic acid;trans-p-Butylcyclohexanecarboxylic acid;4HA;4β-Butyl-1α-cyclohexanecarboxylic acid
• CAS NO: 38289-28-0
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.28
• EINECS: 1312995-182-4
• Product Categories: Biphenyl & Diphenyl ether;4-Alkylcyclohexanecarboxylic Acids (Building Blocks for Liquid Crystals);4-Substituted Cyclohexanecarboxylic Acids;Building Blocks for Liquid Crystals;Functional Materials
• Mol File: 38289-28-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 37°C
• Boiling Point: 287.7 °C at 760 mmHg
• Flash Point: 138.6 °C
• Appearance: /
• Density: 0.973 g/cm³
• Vapor Pressure: 0.000623mmHg at 25°C
• Refractive Index: 1.465
• Storage Temp.: 0-10°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.92±0.10(Predicted)
• CAS DataBase Reference: trans-4-Butylcyclohexanecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: trans-4-Butylcyclohexanecarboxylic acid(38289-28-0)
• EPA Substance Registry System: trans-4-Butylcyclohexanecarboxylic acid(38289-28-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 38289-28-0(Hazardous Substances Data)

Usage

Chemical Properties

White Crysstalline

Uses

Intermediates of Liquid Crystals

InChI:InChI=1/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-

Upstream product

• 124-38-9 carbon dioxide 
• 71101-89-8 trans-4-butylcyclohexane carboxylic acid 
• 20651-71-2 4-butyl benzoic acid 

Downstream Products

• 67589-89-3 trans-4-n-butylcyclohexane-carboxylic acid chloride 
• 1342883-75-3 4-{3-[4-(trans-4-n-butylcyclohexylcarbonyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 4-hexylbenzoate 
• 94142-21-9 cis-1-acrylyl-4-n-butylcyclohexene 
• 94142-20-8 trans-1-acrylyl-4-n-butylcyclohexane 
• 94142-25-3 cis-1-n-butyl-4-acetyl-cyclohexane 
• 94142-32-2 3-n-ethyl-6-(trans-4-n-butylcyclohexyl)-3,4-dihydro-2-N-piperidino-2H-pyrane 
• 94142-18-4 5-ethyl-2-(trans-4-n-butylcyclohexyl)pyridine 
• 125533-12-2 2-(4-Butyl-cyclohexyl)-1-phenyl-ethanone 
• 92118-99-5 4-[2-(4-Butyl-cyclohexyl)-ethyl]-benzoyl chloride 
• 87002-27-5 4-[2-(trans-4-butylcyclohexyl)ethyl]benzene 

Relevant articles and documents

Improved synthesis of trans-4-alkylcyclohexane carboxylic acids

Several stereomerically pure amino acid derivatives containing the N-terminal trans-4-alkylcyclohexanoyl fragment were obtained. Hydrogenation of 4-alkylbenzoic acids in the presence of a special Ru-Ni/C catalytic system and isomerization of the resulting mixture of trans- and cis-isomers of 4-alkylcyclohexanecarboxylic acids were used as the key steps. The stereomeric configuration of all compounds was confirmed by 1H NMR spectroscopy. The compounds obtained possess a broad biological activity potential and are useful intermediates in the synthesis of stereomerically pure modified peptides.

Synthesis of Mesogenic Compounds, Catalyzed by Metal Complexes. II. A New Method of Synthesis of 4,4'-Dialkylbiphenyls

A new method for the synthesis of 4,4'-dialkylbiphenyls containing both n-alkyl- and 4-trans-n-alkylcyclohexyl substituents, based on highly selective reactions of monoalkylation and monoacylation of 1,4-dibromobenzene in the presence of palladium complexes is developed.

ISOMERIZATION UNDER THE INFLUENCE OF p-TOLUENESULFONIC ACID.

The authors have investigated the influence of a mild acid isomerization catalyst, p-toluenesulfonic acid (TSA), on 4-butyl- (Ia) and 4-hexyl- (Ib) cyclohexanecarboxylic acids and their methyl esters (IIa, IIb). It is found that p-toluenesulfonic acid is an effective catalyst of cis-trans isomerization of 4-alkylcyclohexanecarboxylic acids and their esters; removal of water from the reaction medium raises the isomerization rate. Esters of alkylcyclohexanecarboxylic acids are isomerized at higher rates than the acids themselves. A probable mechanism of the acid-catalyzed isomerization reaction is proposed.