471-90-9

Basic information

• Product Name: 2,6,6-trimethylcyclohexene-1-carboxylic acid
• Synonyms: 2,6,6-trimethylcyclohexene-1-carboxylic acid;2,6,6-Trimethyl-1-cyclohexene-1-carboxylic acid;1-Cyclohexene-1-carboxylicacid, 2,6,6-trimethyl-
• CAS NO: 471-90-9
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23284
• EINECS: 207-446-7
• Mol File: 471-90-9.mol
• Article Data: 10

Chemical Properties

• Melting Point: 104-105 °C
• Boiling Point: 261.4°Cat760mmHg
• Flash Point: 125.2°C
• Appearance: /
• Density: 1.011g/cm³
• Vapor Pressure: 0.00344mmHg at 25°C
• Refractive Index: 1.481
• PKA: 4.79±0.40(Predicted)
• CAS DataBase Reference: 2,6,6-trimethylcyclohexene-1-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6,6-trimethylcyclohexene-1-carboxylic acid(471-90-9)
• EPA Substance Registry System: 2,6,6-trimethylcyclohexene-1-carboxylic acid(471-90-9)

Safety Data

• Hazardous Substances Data: 471-90-9(Hazardous Substances Data)

Usage

General Description

2,6,6-trimethylcyclohexene-1-carboxylic acid, also known as pivalic acid, is a carboxylic acid with the chemical formula C8H14O2. It is a colorless, odorless liquid that is slightly soluble in water and soluble in organic solvents. Pivalic acid is commonly used as a chemical intermediate in the production of various compounds, including pharmaceuticals, agrochemicals, and polymers. It is also used as a precursor in the synthesis of fragrances and flavors. Pivalic acid is unstable in the presence of moisture and air, and it can react violently with strong oxidizing agents. Additionally, it is a skin and eye irritant, and exposure to high levels of pivalic acid can cause irritation and damage to the respiratory system.

InChI:InChI=1/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-6H2,1-3H3,(H,11,12)

Upstream product

• 432-25-7 2,6,6-trimethylcyclohex-1-enecarbaldehyde 
• 14505-74-9 α-cyclocitral 
• 61899-98-7 2,6,6-trimethylcyclohex-2-en-1-ylidene ketene 
• 4698-08-2 (E)-geranic acid 
• 459-80-3 geranic acid 
• 7664-93-9 sulfuric acid 
• 1856-67-3 2-cyano-5,9-dimethyl-deca-2,4,8-trienoic acid 
• 2816-57-1 2,6-dimethylcyclohexanone 
• 2408-37-9 2,2,6-trimethylcyclohexan-1-one 
• 189633-82-7 2,2,6-trimethyl-cyclohexanone hydrazone 
• 141-27-5 3,7-dimethyl-2,6-octadienal 
• 49815-58-9 6,6-dimethyl-2-methyl-1-cyclohexene-1-carboxylic acid methyl ester 
• 124-38-9 carbon dioxide 
• 101679-28-1 1,3,3-trimethylcyclohexenyl chloride 

Downstream Products

• 51823-74-6 2,6,6-trimethyl-3-oxo-cyclohex-1-enecarboxylic acid 
• 41436-46-8 2,6,6-trimethyl-cyclohexa-1,3-dien-1-yl methyl ketone 
• 58254-15-2 (3-Brom-2,6,6-trimethylcyclohex-1-en-1-yl)-methyl-keton 
• 4351-02-4 2,2,6-trimethyl-cyclohexanecarboxylic acid 
• 49815-58-9 6,6-dimethyl-2-methyl-1-cyclohexene-1-carboxylic acid methyl ester 
• 432-23-5 2,2-dimethyl-6-methylenecyclohexane-1-carbaldehyde 
• 472-19-5 (2,2-dimethyl-6-methylenecyclohexyl)methanol 
• 81752-87-6 methyl (+/-)-2,2-dimethyl-6-methylene-1-cyclohexanecarboxylate 
• 58254-14-1 2,6,6-trimethylcyclohexene-1-carbonyl chloride 
• 1197-92-8 1-(2,6,6-trimethyl-cyclohex-1-enyl)-ethanone 
• 135447-39-1 3-hydroxy-2,6,6-trimethyl-1-cyclohexene-1-carboxylic acid 
• 432-25-7 2,6,6-trimethylcyclohex-1-enecarbaldehyde 

Relevant articles and documents

PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE

A process for manufacturing a substituted cyclohexanecarbonitrile said process comprising the following steps: - reacting the corresponding substituted cyclohexanecarboxylic acid with thionyl chloride to make the corresponding acyl chloride; and simultaneously or subsequently - reacting the chloride with sulfonamide in sulfolane as solvent to make the substituted cyclohexanecarbonitrile.

Synthesis of three putative kairomones of the beech leaf-mining weevil Orchestes fagi (L.)

The beech leaf-mining weevil, Orchestes fagi (L.), also known as the beech flea weevil, is a common and widespread pest of beech, Fagus sylvatica L., in its native Europe. It now appears to be well established in Nova Scotia, Canada. We report a novel synthesis of 9-geranyl-p-cymene and syntheses of 9-geranyl-α-terpinene and 1,1-dimethyl-3-methylene-2-vinylcyclohexane, making partial use of known methods. All three of these compounds are found in beech leaf volatiles and/or wood and are putative kairomones of the beech leaf-mining weevil.

Improved synthesis of 7,7-dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydroinden-2-yl-acetic and propionic acid from citral

-