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: 2024-11-07 13:31:19
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 | n |
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) |
Corrosion Corrosives GHS05 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 |
Abamectin manufacturer
Dodhia Group
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