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HomeProduct name listCyclohexanecarboxylic acid

Cyclohexanecarboxylic acid

Synonym(s):Hexahydrobenzoic acid

  • CAS NO.:98-89-5
  • Empirical Formula: C7H12O2
  • Molecular Weight: 128.17
  • MDL number: MFCD00001461
  • EINECS: 202-711-3
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-19 23:02:33
Cyclohexanecarboxylic acid Structural

What is Cyclohexanecarboxylic acid?

Chemical properties

White crystalline solid

Chemical properties

Cyclohexanecarboxylic acid has a cheese-like odor.

The Uses of Cyclohexanecarboxylic acid

Cyclohexanecarboxylic acid can be used to determine complex binding constants of the three native cyclodextrins with seven cyclohexane derivatives.

The Uses of Cyclohexanecarboxylic acid

Paint and varnish driers, dry-cleaning soaps, lubricating oils, stabilizer for rubber.

The Uses of Cyclohexanecarboxylic acid

Cyclohexanecarboxylic 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.

What are the applications of Application

Cyclohexanecarboxylic acid is Cyclohexanecarboxylic acid can be used to determine complex binding constants of the three native cyclodextrins with seven cyclohexane derivatives.

Definition

ChEBI: A monocarboxylic acid that consists of cyclohexane substituted by a carboxy group.

Taste threshold values

Taste 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 Description

Cyclohexanecarboxylic 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 Actions

Cyclohexanecarboxylic 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 Methods

Crystallise 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.]

Properties of Cyclohexanecarboxylic acid

Melting point: 29-31 °C(lit.)
Boiling point: 232-233 °C(lit.)
Density  1.033 g/mL at 25 °C(lit.)
refractive index  n20/D 1.461(lit.)
FEMA  3531 | CYCLOHEXANECARBOXYLIC ACID
Flash point: >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  H2O: soluble0.201g in 100g at 15°C
form  Crystalline Solid
pka 4.9(at 25℃)
Specific Gravity 1.033
color  White
Odor fruity acidic metallic cheese tropical
Water Solubility  0.201 g/100 mL (15 ºC)
Merck  14,2724
JECFA Number 961
BRN  970529
Dielectric constant 2.6(31℃)
CAS DataBase Reference 98-89-5(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexanecarboxylic acid(98-89-5)
EPA Substance Registry System Cyclohexanecarboxylic acid (98-89-5)

Safety information for Cyclohexanecarboxylic acid

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

Computed Descriptors for Cyclohexanecarboxylic acid

InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N

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