20698-30-0

Basic information

• Product Name: TRANS-4-TERT-PENTYLCYCLOHEXANOL
• Synonyms: TRANS-4-TERT-AMYCYCLOHEXANOL;TRANS-4-TERT-PENTYLCYCLOHEXANOL
• CAS NO: 20698-30-0
• Molecular Formula: C₁₁H₂₂O
• Molecular Weight: 170.29
• Mol File: 20698-30-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 24-27°C
• Boiling Point: 154-156°C 40mm
• Flash Point: 154-156°C/40mm
• Appearance: /
• Density: 0.914 g/cm³
• Refractive Index: 1.471
• CAS DataBase Reference: TRANS-4-TERT-PENTYLCYCLOHEXANOL(CAS DataBase Reference)
• NIST Chemistry Reference: TRANS-4-TERT-PENTYLCYCLOHEXANOL(20698-30-0)
• EPA Substance Registry System: TRANS-4-TERT-PENTYLCYCLOHEXANOL(20698-30-0)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 20698-30-0(Hazardous Substances Data)

Usage

General Description

TRANS-4-TERT-PENTYLCYCLOHEXANOL, also known as 4-tert-amylcyclohexanol, is a chemical compound with the molecular formula C11H22O. It is a colorless, clear liquid with a faint, sweet odor, and is insoluble in water but soluble in organic solvents. This chemical is used primarily as a fragrance ingredient in personal care products and as a flavoring agent in food products. It is also used in the synthesis of other chemicals and as an intermediate in the production of pharmaceuticals and agrochemicals. TRANS-4-TERT-PENTYLCYCLOHEXANOL is considered to have low toxicity and is not known to pose significant health risks to humans when used according to safety guidelines.

InChI:InChI=1/C11H22O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10,12H,4-8H2,1-3H3/t9-,10-

Upstream product

• 80-46-6 4-t-amylphenol 
• 16587-71-6 4-tert-amylcyclohexanone 

Downstream Products

• 1393449-49-4 ethyl 1-((6-((cis-4-(tert-pentyl)cyclohexyl)oxy)naphthalen-2-yl)methyl)piperidine-4-carboxylate 

Relevant articles and documents

Trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives

A trans-selective arene hydrogenation of abundant phenol derivatives catalyzed by a commercially available heterogeneous palladium catalyst is reported. The described method tolerates a variety of functional groups and provides access to a broad scope of trans-configurated cyclohexanols as potential building blocks for life sciences and beyond in a one-step procedure. The transformation is strategically important because arene hydrogenation preferentially delivers the opposite cis-isomers. The diastereoselectivity of the phenol hydrogenation can be switched to the cis-isomers by employing rhodium-based catalysts. Moreover, a protocol for the chemoselective hydrogenation of phenols to cyclohexanones was developed.

The Biotransformation of 4-tert-Amyl- and 4- tert-Butylcyclohexanone by Cephalosporium aphidicola

4-tert-Amyl and 4-tert-butylcyclohexanone are shown to be hydroxylated on the 4-substituent by Cephalosporium aphidicola. The carbonyl group is also reduced and the alcohols are also hydroxylated.