Cyclohexanecarboxylic Acid: Structure, Identity and Reference Properties
Cyclohexanecarboxylic acid is the monocarboxylic acid formed by attaching a carboxyl group to a cyclohexane ring. NIST, PubChem and the FDA Global Substance Registration System align on CAS 98-89-5, formula C7H12O2, molecular weight about 128.17 g/mol and InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N. These identity records answer structure and naming questions; they do not establish the specification, appearance, purity, use authorization or suitability of a current Longchang lot.
Cyclohexanecarboxylic acid identity at a glance
| Preferred name | Cyclohexanecarboxylic acid |
|---|---|
| CAS Registry Number | 98-89-5 |
| Молекулярная формула | C7H12O2 |
| Молекулярная масса | 128.17 g/mol (NIST: 128.1690) |
| PubChem CID | 7413 |
| FDA UNII | H9VKD9VL18 |
| EC number | 202-711-3 |
| InChIKey | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Canonical SMILES | C1CCC(CC1)C(=O)O |
Identity references: NIST Chemistry WebBook CAS 98-89-5, PubChem CID 7413 и FDA GSRS UNII H9VKD9VL18. These are public identity sources, not Longchang specifications or lot documents.
What does the structure show?
The structure contains a saturated six-membered cyclohexane ring and one carboxylic-acid group, written as C1CCC(CC1)C(=O)O. The formula can also be written C6H11CO2H. The FDA GSRS record identifies the substance as achiral with no defined stereocenters. A search for “structure of cyclohexane carboxylic acid” should therefore resolve to this exact parent acid, not to a substituted acid, an ester, an acid chloride, a salt or Cyclohexanecarboxaldehyde CAS 2043-61-0.
Are Cyclohexanoic Acid and Cyclohexanecarboxylic Acid the same?
Public identity records list Cyclohexanoic acid, Hexahydrobenzoic acid, Carboxycyclohexane, Cyclohexylcarboxylic acid и Cyclohexylmethanoic acid as names associated with the CAS 98-89-5 parent substance. A procurement record should still use the preferred name, CAS number and structural identifier together so that a similar substituted derivative is not selected by name alone.
| Name or search phrase | How to interpret it | Qualification action |
|---|---|---|
| Cyclohexanecarboxylic acid | Preferred parent-substance name in the reviewed records | Align with CAS 98-89-5 and the exact structure |
| Cyclohexanoic acid | Synonym recorded by PubChem, FDA GSRS and WHO/JECFA | Do not confuse with a substituted cyclohexane acid |
| Hexahydrobenzoic acid | Historical/common synonym recorded by NIST and FDA GSRS | Use the controlled identity set on documents |
| Cyclohexanecarboxylate | Conjugate-base or salt context, not automatically the neutral acid | Confirm counter-ion, charge state and formula |
| Cyclohexanecarboxaldehyde | A different aldehyde, CAS 2043-61-0 | Do not substitute it for CAS 98-89-5 |
Reference properties versus a current supplier specification
NIST provides evaluated identity, thermochemistry, phase-change and spectral records. PubChem aggregates computed and experimental property contributions. Those data are useful for literature screening, but a value copied from a public database is not a current Longchang specification or lot result.
| Property question | Public-reference context | What a buyer should request |
|---|---|---|
| Appearance / phase | Public records describe material that can be solid or liquid near ambient temperature | Controlled appearance wording, test temperature, method, acceptance limit and lot result |
| Melting or freezing range | Reported values depend on source, purity and method | Required method, range and lot result under defined conditions |
| Температура кипения | Literature values must retain pressure and method context | Use a buyer-approved reference or method; do not treat a web value as a release test |
| Растворимость в воде | Temperature, units, form and method affect comparability | Define the intended solvent, temperature, method and acceptance need |
| pKa | Dissociation values require solvent, temperature, ionic-strength and method context | Cite the chosen literature or method and state the conditions; do not copy an unqualified number into a supplier specification |
| Identity / assay | Formula and identifiers do not establish purity | Current identity methods, assay method, units, limit and applicable lot COA |
What does the WHO/JECFA flavour record establish?
Сайт WHO/JECFA record for Cyclohexanecarboxylic Acid, JECFA No. 961 lists CAS 98-89-5, FEMA No. 3531 and the functional class “Flavouring Agent.” Its 2002 evaluation reports no safety concern at the then-current levels of intake when used as a flavouring agent.
That conclusion is scoped to the evaluated flavour use and exposure context. It is not a declaration that every supplier lot is food grade, approved in every country, suitable at any concentration or compliant with a buyer’s finished product. A food or flavour project still requires the current applicable specification, purity/impurity data, use level, destination-market rules and the buyer’s regulatory assessment.
Claims removed from the earlier article
The previous page made broad application, pharmacology, safety and supply statements without visible primary evidence tied to the offered material. They are not carried forward as facts or sales promises.
| Earlier statement | Why it is not retained | Evidence required before reuse |
|---|---|---|
| Antiviral, analgesic, anticonvulsant or improved-bioavailability benefit | Confuses research or downstream molecules with performance of the raw material | Exact downstream identity, primary study, intended market and competent medical/regulatory review |
| Critical Nylon-6 precursor | The old page supplied no process or product evidence for this claim | Buyer process definition and a technically applicable primary source |
| Universal polymer, coating, surfactant, agrochemical or cleaning use | Identity alone does not prove suitability in a process or formulation | Named transformation or formulation, acceptance criteria and buyer validation |
| General food or fragrance suitability | Overstates the scope of the JECFA flavour evaluation | Destination-market rules, use level, current specification and buyer approval |
| High purity, competitive price, reliable supply and global shipping | No current specification, inventory, quotation or destination confirmation was shown | Current controlled documents and a dated destination-specific quotation |
| Generic hazard categories and first-aid instructions | A webpage is not a substitute for the current supplier SDS | Current SDS, local rules and the buyer’s site-specific risk assessment |
Which Longchang page should you use next?
- Use this page for structure, names, formula, identifiers and public-reference boundaries.
- Use the Cyclohexanecarboxylic Acid sourcing guide to build the specification, method, application-evidence and supplier-qualification checklist.
- Use the product page for a current document, sample and quotation request.
Request current Cyclohexanecarboxylic Acid information
Open the Cyclohexanecarboxylic Acid CAS 98-89-5 product page to request the current specification, analytical methods, applicable lot COA, SDS, sample, packaging and commercial information.
Электронная почта info@longchangchemical.com with the intended technical context, destination market, required tests and limits, quantity, packaging and document requirements.
Frequently asked questions
What is the formula of Cyclohexanecarboxylic Acid?
The molecular formula is C7H12O2. NIST reports a molecular weight of 128.1690, commonly rounded to 128.17 g/mol.
What is its structure?
It is a cyclohexane ring bearing one carboxylic-acid group. The canonical SMILES is C1CCC(CC1)C(=O)O.
Is Cyclohexanoic Acid a different CAS?
In the reviewed public records, Cyclohexanoic Acid is a synonym associated with CAS 98-89-5. Confirm the full identity because similar substituted cyclohexane acids are different materials.
Does the JECFA record make every lot food grade?
No. It documents a scoped flavour evaluation. Lot quality, use level, destination-market compliance and finished-product suitability require separate current evidence and buyer approval.