16587-71-6

Basic information

• Product Name: 4-TERT-PENTYLCYCLOHEXANONE
• Synonyms: 4-tert-pentyl-cyclohexanon;Cyclohexanone, 4-tert-pentyl-;4-TERT-PENTYLCYCLOHEXANONE;4-T-AMYLCYCLOHEXANONE;4-TERT-AMYLCYCLOHEXANONE;4-(1,1-Dimethylpropyl)cyclohexanone~4-[2-(2-Methylbutyl)]cyclohexanone~4-tert-Pentylcyclohexanone;ISOPENTYLCYCLOHEXANONE;Cyclohexanone, 4-(1,1-dimethylpropyl)-
• CAS NO: 16587-71-6
• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.28
• EINECS: 240-642-0
• Mol File: 16587-71-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 96°C
• Boiling Point: 124-125°C 16mm
• Flash Point: 124-125°C/16mm
• Appearance: /
• Density: 0.92
• Vapor Pressure: 0.0649mmHg at 25°C
• Refractive Index: 1.4690
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Soluble in alcohol. Insoluble in water.
• BRN: 2240475
• CAS DataBase Reference: 4-TERT-PENTYLCYCLOHEXANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-PENTYLCYCLOHEXANONE(16587-71-6)
• EPA Substance Registry System: 4-TERT-PENTYLCYCLOHEXANONE(16587-71-6)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RTECS: GW1960000
• TSCA: Yes
• Hazardous Substances Data: 16587-71-6(Hazardous Substances Data)

Usage

Description

4-TERT-PENTYLCYCLOHEXANONE is a colorless liquid with a powerful, orris-type aroma. It has a density (d20 4) ranging from 0.919 to 0.927 and a refractive index (n20 D) between 1.466 and 1.471. The compound is synthesized through the hydrogenation of p-tert-amylphenol over palladium in the presence of borax. It is not reported to occur naturally.

Uses

Used in the Cosmetic Industry:
4-TERT-PENTYLCYCLOHEXANONE is used as a masking agent and a perfuming agent in the cosmetic industry, providing a pleasant scent to various products.
Used in the Perfumery Industry:
In the perfumery industry, 4-TERT-PENTYLCYCLOHEXANONE is used as a fragrance ingredient, contributing to the overall scent profile of perfume compositions.
Used in the Detergent Industry:
4-TERT-PENTYLCYCLOHEXANONE is also utilized in the detergent industry, particularly for laundry detergents, to enhance the aroma of the products and provide a fresh, clean scent to the laundered items.

Preparation

From 4-tert-amylcyclohexanol by chromic acid oxidation (Arctander, 1969).

Flammability and Explosibility

Nonflammable

Trade name

Orivone (IFF)

Safety Profile

Mildly toxic by ingestion. A skinirritant. When heated to decomposition it emits smokeand acrid fumes.

InChI:InChI=1/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3

Upstream product

• 80-46-6 4-t-amylphenol 
• 5349-51-9 4-(1,1-dimethylpropyl)cyclohexan-1-ol 

Downstream Products

• 20698-30-0 trans-4-tert-amylcyclohexano-1-ol 
• 20698-29-7 cis-4-tert-amylcyclohexano-1-ol 
• 5349-51-9 4-(1,1-dimethylpropyl)cyclohexan-1-ol 
• 104178-35-0 4-tert-pentyl-cyclohexane-1,2-dione 

Relevant articles and documents

Serine carbonates

Serine carbonates of formula I are precursors for organoleptic compounds, masking agents and antimicrobial agents. Further they are alternative substrates for malodor producing enzymes. The symbols in formula I are defined in claim 1.