62067-45-2

Basic information

• Product Name: Isopropyl-cyclohexanecarboxylic acid
• Synonyms: TIMTEC-BB SBB008598;P-ISOPROPYLHEXAHYDROBENZOIC ACID;4-ISOPROPYLCYCLOHEXANECARBOXYLIC ACID;4-(1-Methylethyl)-cyclohexanecarboxylic acid;isopropyl-cyclohexanecarboxylic acid;HEXAHYDROCUMIC ACID;4-(1-methylethyl)-cyclohexanecarboxylicaci;4-isopropyl-cyclohexanecarboxylicaci
• CAS NO: 62067-45-2
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• EINECS: 230-375-8
• Product Categories: chiral;Organic acids
• Mol File: 62067-45-2.mol

Chemical Properties

• Melting Point: 90-93°C
• Boiling Point: 134°C/1mmHg(lit.)
• Flash Point: 126.9°C
• Appearance: /
• Density: 0.996g/cm³
• Vapor Pressure: 0.00294mmHg at 25°C
• Refractive Index: 1.4650 to 1.4690
• CAS DataBase Reference: Isopropyl-cyclohexanecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropyl-cyclohexanecarboxylic acid(62067-45-2)
• EPA Substance Registry System: Isopropyl-cyclohexanecarboxylic acid(62067-45-2)

Safety Data

• RTECS: GU8585000
• Hazardous Substances Data: 62067-45-2(Hazardous Substances Data)

Usage

Uses

Used in Perfumery Industry:
Isopropyl-cyclohexanecarboxylic acid is used as a precursor in the preparation of aromatic aldehydes, which serve as important ingredients in the formulation of perfumes. The aromatic aldehydes derived from this acid contribute to the creation of complex and long-lasting fragrances, enhancing the sensory experience of the end-users.

InChI:InChI=1/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8-,9-

Upstream product

• 536-66-3 p-isopropylbenzoic acid 
• 99-82-1 Menthane 
• 638-38-0 manganese(II) acetate 
• 301-04-2 lead acetate 

Downstream Products

• 72431-80-2 1-methyl-4-isopropyl-cyclohexane-carboxylic acid 
• 5502-75-0 4-(1-methylethyl)cyclohexyl-methanol 
• 88166-24-9 4-isopropylcyclohexane-1-carbaldehyde 
• 92117-58-3 r-1-diazoacetyl-t-4-isopropyl-1-methylcyclohexane 
• 92117-59-4 r-1-diazoacetyl-c-4-isopropyl-1-methylcyclohexane 
• 84855-66-3 2-diazo-1-(trans-4-isopropylcyclohexyl)-1-ethanone 
• 84855-65-2 2-diazo-1-(cis-4-isopropylcyclohexyl)-1-ethanone 
• 84856-12-2 Benzenesulfonic acid 2-(4-isopropyl-cyclohexyl)-2-oxo-ethyl ester 
• 92117-35-6 2-(t-4-isopropyl-1-methylcyclohex-r-1-yl)-2-oxoethyl benzenesulfonate 
• 92117-37-8 2-(c-4-isopropyl-1-methylcyclohex-r-1-yl)-2-oxoethyl benzenesulfonate 
• 84856-14-4 4-Ethoxy-benzenesulfonic acid 2-(4-isopropyl-cyclohexyl)-2-oxo-ethyl ester 
• 84856-13-3 4-Ethoxy-benzenesulfonic acid 2-(4-isopropyl-cyclohexyl)-2-oxo-ethyl ester 
• 84856-16-6 2,4,6-Trimethyl-benzenesulfonic acid 2-(4-isopropyl-cyclohexyl)-2-oxo-ethyl ester 
• 84856-15-5 2,4,6-Trimethyl-benzenesulfonic acid 2-(4-isopropyl-cyclohexyl)-2-oxo-ethyl ester 

Relevant articles and documents

Experimental determination of the conformational free energies (A values) of fluorinated substituents in cyclohexane by dynamic 19F NMR spectroscopy. Part 2. Extension to fluoromethyl, difluoromethyl, pentafluoroethyl, trifluoromethylthio and trifluoromethoxy groups

The synthesis of monosubstituted and 1,4-substituted cyclohexanes bearing one of the title groups is described. The conformational analysis of these compounds was studied by 19F NMR spectroscopy at various temperatures. Chemical shifts for each conformer above the coalescence temperature were obtained by binomial regression from low temperature values, allowing the high precision determination of the equilibrium constants, and the corresponding thermodynamic parameters (ΔG°, ΔH°, ΔS°) of the fluorinated substituents. For A values (-ΔG°298K), the following averaged data were obtained: 1.59 (CFH2), 1.85 (CF2H), 2.67 (C2F5), 0.79 (OCF3) and 1.18 (SCF3) [in kcal mol-1]. the Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2006.

Cycloalkylamides and their therapeutic applications

The present invention relates to the use of compounds of formula (I) for the treatment of a variety of disorders including, but not limited to, epilepsy, bipolar disorder, psychiatric disorders, migraine, pain, neuroprotection, and movement disorders.

Cycloalkylamides and their therapeutic applications

The present invention relates to the use of compounds of formula (I) for the treatment of a variety of disorders including, but not limited to, epilepsy, bipolar disorder, psychiatric disorders, migraine, pain, neuroprotection, and movement disorders.

Epimerization of 2- or 4- substituted cyclohexanecarboxylic acids

The present invention relates to a new method for obtaining a purity of about 93% to 100% of the trans form of 2- or 4-substituted cyclohexanecarboxylic acid or reactive derivatives thereof from the cis form or a mixture of the cis and trans forms by a single step, particularly, to a method for obtaining a purity of substantially 100% of the trans form of 4-substituted cyclohexanecarboxylic acid.

Hypoglycemic agent

A compound of D-phenylalanine derivative for hypoglycemic use, represented by the general formula STR1 R1 is selected from hydrogen, alkyl of 1 to 5 carbon atoms, aryl of 6 to 12 carbon atoms, aralkyl of 6 to 12 carbon atoms, STR2 --CH2 CO2 R3, --CH(CH3)--OCO--R3, and --CH2 --OCO--C(CH3)3 ; R2 is selected from groups comprising aryl of 6 to 12 carbon atoms, a hetero six-membered ring, a hetero five-membered ring, cycloalkyl, or cycloalkenyl, any of which groups may have one or more substituents; and R3 is selected from hydrogen and alkyl of 1 to 5 carbon atoms; the salts thereof, and precursors which can be converted thereto in the human or animal body. Some of the compounds are novel per se.