4694-12-6

Basic information

• Product Name: 2,4,4-TRIMETHYLCYCLOPENTANONE
• Synonyms: 2,4,4-trimethyl-cyclopentanon;2,4,4-TRIMETHYLCYCLOPENTANONE
• CAS NO: 4694-12-6
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.2
• EINECS: 225-155-3
• Mol File: 4694-12-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: -25.6°C
• Boiling Point: 160 °C(lit.)
• Flash Point: 110 °F
• Appearance: /
• Density: 0.877 g/mL at 25 °C(lit.)
• Vapor Pressure: 2.13mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• CAS DataBase Reference: 2,4,4-TRIMETHYLCYCLOPENTANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,4-TRIMETHYLCYCLOPENTANONE(4694-12-6)
• EPA Substance Registry System: 2,4,4-TRIMETHYLCYCLOPENTANONE(4694-12-6)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: UN 1224 3/PG 3
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 4694-12-6(Hazardous Substances Data)

Usage

General Description

2,4,4-Trimethylcyclopentanone is a chemical compound with the molecular formula C9H16O. It is a cyclic ketone with a five-membered ring structure and three methyl groups attached to the cyclopentanone ring. 2,4,4-TRIMETHYLCYCLOPENTANONE is commonly used in the production of fragrances and flavorings due to its pleasant odor. It is also used as an intermediate in the synthesis of pharmaceuticals and agricultural chemicals. Additionally, 2,4,4-Trimethylcyclopentanone has been shown to exhibit insect repellent properties, making it a potential ingredient in insect repellent formulations.Overall, this chemical compound has a wide range of industrial and commercial applications due to its unique properties and versatile nature.

InChI:InChI=1/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3/t6-/m1/s1

Upstream product

• 10276-21-8 isophorone oxide 
• 109-63-7 trifluoroborane diethyl ether 
• 71-43-2 benzene 
• 4694-17-1 5,5-dimethlycyclohex-2-en-1-one 
• 126-81-8 dimedone 
• 17530-69-7 3-chloro-5,5-dimethylcyclohex-2-en-1-one 
• 10275-88-4 (+/-)-1,4,4-trimethyl-2-oxo-cyclopentanecarbaldehyde 
• 7647-01-0 hydrogenchloride 
• 3937-59-5 2,4,4-trimethyl-adipic acid 
• 873-94-9 dihydroisophorone 
• 51335-83-2 (1R,3S)-5,5-dimethylcyclohexane-1,3-diol 
• 116-02-9 3,3,5-trimethylcyclohexanol 
• 53358-55-7 4,6,6-trimethylcyclohex-2-en-1-one 
• 503-44-6 3,5,5-trimethyl-cyclohexene 

Downstream Products

• 65378-76-9 1,2,4,4-tetramethylcyclopentene 
• 65378-77-0 1,3,3,5-Tetramethyl-cyclopenten-⁽¹⁾ 
• 6949-23-1 4-methyl-3-nitrobenzenesulfonamide 
• 129958-40-3 N-(4-methyl-3-nitrobenzenesulfonyl)-1,3,3-trimethylcyclobutanecarboximidate 
• 129958-42-5 N-(3,5,5-trimethyl-2-methoxy-2-cyclopentenyl)-4-methyl-3-nitrobenzenesulfonamide 
• 129958-41-4 N-(1,4,4-trimethyl-2-methoxy-2-cyclopentenyl)-4-methyl-3-nitrobenzenesulfonamide 
• 53907-60-1 cyclopentane, 1,1,3,4-tetramethyl-, cis- 
• 50876-33-0 1,1,3,3-tetramethyl-cyclopentane 
• 104461-75-8 1,4,4-Trimethyl-2-oxo-cyclopentanecarboxylic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester 
• 20309-77-7 trans-1,1,3,4-Tetramethyl-cyclopentan 
• 19265-05-5 1,1,3-trimethyl glutaric acid 
• 597-43-3 2,2-dimethylsuccinic acid 
• 4694-11-5 2,2,4,4-tetramethylcyclopentanone 

Relevant articles and documents

Synthesis of pseudoiridolactones

Bicyclic δ-lactones with a carbon group at the bicyclic junction C-7a, designed as pseudoiridolactones, were synthesized from α-alkyl-α-hydroxymethylcyclopentanones via an intramolecular Horner-Wadsworth-Emmons reaction.

IMPROVED SYNTHESIS OF 2-HYDROXY-4,4,6-TRIMETHYL-2,5-CYCLOHEXADIENONE, USEFUL AS A FLAVORING ADDITIVE

The title dienone 1, useful for modification, improvement or increasing organoleptic properties of tobacco, sucrose syrups, flavored beverages, was prepared in 40-55percent overall yield from isophorone, by chlorination of 2-hydroxy-isophorone (2), rearrangement into 6-chloro-2-hydroxyisophorone (5) and dehydrochlorination.An excellent yield of 3-chloro-2-hydroxy-4,4,6-trimethyl-2,5-cyclohexenone (12) was obtained by chlorination of 5 followed by dehydrohalogenation.