Cyclohexanecarboxylic acid (CAS 98-89-5) — formula C7H12O2, molecular weight 128.08 g/mol; category organic chemicals.
| CAS Number | 98-89-5 |
|---|---|
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08 g/mol |
| Melting Point | 31 - 32 °C |
| Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| LogP | 1.96 |
| Applications | Uses: Used as a solubilizer for vulcanized rubber, a clarifier for mineral oil, and in insecticides, [Merck Index] Used as a flavoring agent, [FDA] Used as an intermediate, [ExPub: ECHA REACH Registrations], Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Cyclohexanecarboxylic acid: ACTIVE, Cyclohexanecarboxylic acid, lead salt (1:?): ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Used as a solubilizer for vulcanized rubber, a clarifier for mineral oil, and in insecticides, [Merck Index] Used as a flavoring agent, [FDA] Used as an intermediate, [ExPub: ECHA REACH Registrations], Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Cyclohexanecarboxylic acid: ACTIVE, Cyclohexanecarboxylic acid, lead salt (1:?): ACTIVE.
Cyclohexanecarboxylic acid is a carbon-based organic compound with CAS registry number 98-89-5 and molecular formula C7H12O2 (molecular weight 128.08 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 98-89-5
Its molecular formula C7H12O2 comprises 7 C, 12 H, 2 O atoms.
Also known as: Cyclohexanecarboxylic acid · 环己基甲酸
Category: organic chemicals
The CAS registry number of Cyclohexanecarboxylic acid is 98-89-5.
Molecular formula C7H12O2, molecular weight 128.08 g/mol.
It is also registered under: Cyclohexanecarboxylic acid, 环己基甲酸.
Recorded applications: Uses: Used as a solubilizer for vulcanized rubber, a clarifier for mineral oil, and in insecticides, [Merck Index] Used as a flavoring agent, [FDA] Used as an intermediate, [ExPub: ECHA REACH Registrations], Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Cyclohexanecarboxylic acid: ACTIVE, Cyclohexanecarboxylic acid, lead salt (1:?): ACTIVE.
Category: Organic Chemicals.
Independent reference data for Cyclohexanecarboxylic acid (CAS 98-89-5), compiled from public chemistry databases.
| CAS Registry Number | 98-89-5 |
|---|---|
| PubChem CID | 7413 |
| Molecular formula | C7H12O2 |
| Molecular weight | 128.08 g/mol |
| IUPAC name | cyclohexanecarboxylic acid |
| InChIKey | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| UNII (FDA) | H9VKD9VL18 |
| ChEBI ID | CHEBI:36096 |
| FEMA number | 3531 |
| JECFA number | 961 |
| Molecular Weight | 128.17 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.083729621 |
| Monoisotopic Mass | 128.083729621 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 232-233 °C |
| Melting Point | 31 - 32 °C |
| Solubility | 4.6 mg/mL at 25 °C |
| Density | 1.029-1.037 |
| Vapor Pressure | 0.03 [mmHg] |
| LogP | 1.96 |
| Refractive Index | 1.516-1.520 |
CYCLOHEXANECARBOXYLIC ACID; 98-89-5; Hexahydrobenzoic acid; Carboxycyclohexane; Cyclohexanoic acid; Cyclohexylcarboxylic acid; Benzoic acid, hexahydro-; Cyclohexylmethanoic acid; Cyclohexylformic acid; Cyclohexancarbonsaeure; FEMA No. 3531; H9VKD9VL18; NSC-452; DTXSID8059180; CHEBI:36096; RefChem:919389
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 34.2% (90 / 263) |
| GHS notification summary | 34.2% (90 / 263) |
|---|---|
| Reported hazard statements | H315 (65.4%), H318 (16%), H319 (47.1%), H335 (18.3%) |
This chemical does not meet GHS hazard criteria for 34.2% (90 of 263) of reports.
H315 (65.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Cyclohexanecarboxylic acid is identified by CAS 98-89-5, molecular formula C7H12O2 and molecular weight 128.08 g/mol. UNII H9VKD9VL18; ChEBI 36096; InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N. Boiling Point: 232.00 to 233.00 °C. @ 760.00 mm Hg; Boiling Point: 232-233 °C; Melting Point: 31 - 32 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 环己基甲酸