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Cyclohexanecarboxylic acid

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Cyclohexanecarboxylic acid Basic information
Description Application
Product Name:Cyclohexanecarboxylic acid
Synonyms:Cyelohexanecarboxylic acid;Hexahydrobenozic acid;CYCLOHEXANECARBOXYLIC ACID 98+%;Cyclohexanecarboxylicacid,97%;CYLOHEXYLCARBOXYLIC ACID;CYCLOHEXANECARBOXYLATE;Cyclohexancarbonsure;Cyclohexane Carboxilic Acid
CAS:98-89-5
MF:C7H12O2
MW:128.17
EINECS:202-711-3
Product Categories:Others ,Pyrans;API intermediates;Pharmaceutical Intermediates;bc0001
Mol File:98-89-5.mol
Cyclohexanecarboxylic acid Structure
Cyclohexanecarboxylic acid Chemical Properties
Melting point 29-31 °C(lit.)
Boiling point 232-233 °C(lit.)
density 1.033 g/mL at 25 °C(lit.)
FEMA 3531 | CYCLOHEXANECARBOXYLIC ACID
refractive index n20/D 1.461(lit.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility H2O: soluble0.201g in 100g at 15°C
form Crystalline Solid
pka4.9(at 25℃)
color White
Specific Gravity1.033
Odorfruity acidic metallic cheese tropical
Odor Typefruity
Water Solubility 0.201 g/100 mL (15 ºC)
Merck 14,2724
JECFA Number961
BRN 970529
Dielectric constant2.6(31℃)
InChIKeyNZNMSOFKMUBTKW-UHFFFAOYSA-N
LogP1.96 at 25℃
CAS DataBase Reference98-89-5(CAS DataBase Reference)
NIST Chemistry ReferenceCyclohexanecarboxylic acid(98-89-5)
EPA Substance Registry SystemCyclohexanecarboxylic acid (98-89-5)
Safety Information
Hazard Codes Xi
Risk Statements 37/38-41-36/37/38
Safety Statements 26-36-37/39
WGK Germany 2
RTECS GU8370000
TSCA Yes
HS Code 29172090
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Cyclohexanecarboxylic acid Usage And Synthesis
Description

Cyclohexanecarboxylic acid, also known as hexahydrobenzoic acid or carboxycyclohexane, belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Cyclohexanecarboxylic acid is a weakly acidic compound (based on its pKa). Cyclohexanecarboxylic acid exists in all living organisms, ranging from bacteria to humans. Cyclohexanecarboxylic acid is an acidic, cheese, and fruity tasting compound. Outside of the human body,. A monocarboxylic acid that consists of cyclohexane substituted by a carboxy group.

Cyclohexanecarboxylic acid

ApplicationCyclohexanecarboxylic acid is a precursor to the nylon-6 precursor caprolactam via its reaction with nitrosylsulfuric acid. It can also be oxidized to cyclohexene. Cyclohexanecarboxylic acid exhibits the reactions typical of carboxylic acids, including its conversion to the acid chloride cyclohexanecarbonyl chloride.
Chemical PropertiesCyclohexanecarboxylic acid is a white crystalline solid that has a cheese-like odor.
UsesPaint and varnish driers, dry-cleaning soaps, lubricating oils, stabilizer for rubber.
UsesCyclohexanecarboxylic acid can be used to determine complex binding constants of the three native cyclodextrins with seven cyclohexane derivatives.
UsesCyclohexanecarboxylic acid may be used as an analytical standard for the determination of the analyte in wine and other alcoholic beverages, edible salts and high-salinity foods, and ethanolic extract of Centella asiatica by various analytical techniques.
DefinitionChEBI: Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.
Taste threshold valuesTaste characteristics at 5 ppm: fruity, woody, berry-like with green dirty nuances
Synthesis Reference(s)The Journal of Organic Chemistry, 22, p. 1680, 1957 DOI: 10.1021/jo01363a041
Tetrahedron Letters, 21, p. 4773, 1980 DOI: 10.1016/0040-4039(80)80136-5
General DescriptionCyclohexanecarboxylic acid, the saturated analog of benzoic acid, is categorized under the family of volatile organic compounds (VOCs). It is typically used as a flavoring ingredient.
Biochem/physiol ActionsCyclohexanecarboxylic acid undergoes microbial degradation by a strain of Antherobacter to form para-hydroxybenzoic acid. Cyclohexanecarboxylic acid undergoes aromatization and converts to Hippuric acid in rat liver extracts in vitro. Cyclohexanecarboxylic acid is the starting reagent for the synthesis of polyketide-type antibiotics, Phoslactomycins.
Purification MethodsCrystallise the acid from hot H2O (solubility is 0.2% w/w at 15o), it is soluble in organic solvents. Also distil it at as high a vacuum as possible and warm the condenser as it solidifies on cooling.The acid chloride M 146.6, has b 184o/atm, d2 5 1.096, the methyl ester has b 183o/atm, and the S-benzylisothiuronium salt has m 165-166o (from EtOH). [Beilstein 9 H 7, 9 I 5, 9 II 6, 9 III15, 9 IV 16.]
Tag:Cyclohexanecarboxylic acid(98-89-5) Related Product Information
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