Cyclohexancarbonsure
Cyclohexanecarboxylic acid
CAS: 98-89-5
Molecular Formula: C7H12O2
Cyclohexancarbonsure - Names and Identifiers
| Name | Cyclohexanecarboxylic acid |
| Synonyms | Cyclohexancarbonsure Hexahydrobenozic acid Hexahydrobenzoic acid CYCLOHEXANECARBOXYLATE CYLOHEXYLCARBOXYLIC ACID Cyclohexylcarboxylic Acid Cyelohexanecarboxylic acid Cyclohexanecarboxylic acid Cyclohexane Carboxilic Acid Cyclohexane carboxylic acid |
| CAS | 98-89-5 |
| EINECS | 202-711-3 |
| InChI | InChI=1/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) |
| InChIKey | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
Cyclohexancarbonsure - Physico-chemical Properties
| Molecular Formula | C7H12O2 |
| Molar Mass | 128.17 |
| Density | 1.033g/mLat 25°C(lit.) |
| Melting Point | 29-31°C(lit.) |
| Boling Point | 232-233°C(lit.) |
| Specific Rotation(α) | n20/D 1.461 (lit.) |
| Flash Point | >230°F |
| JECFA Number | 961 |
| Water Solubility | 0.201 g/100 mL (15 ºC) |
| Solubility | Easily soluble in chloroform, ethanol and other organic solvents. The solubility in water at 15 ℃ is 0.201g/100g. |
| Vapor Presure | 0.02mmHg at 25°C |
| Appearance | Colorless flake or columnar crystal |
| Specific Gravity | 1.033 |
| Color | White |
| Merck | 14,2724 |
| BRN | 970529 |
| pKa | 4.9(at 25℃) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.461(lit.) |
| MDL | MFCD00001461 |
| Physical and Chemical Properties | Colorless flake or columnar crystals. Melting point 28-30 ℃, boiling point 232.5 ℃,120-121 ℃(1.7kPa), relative density 1.0481(15/4 ℃), refractive index 1.4530. Soluble in most organic solvents, solubility in water at 15 ℃ is 0.201g/100g. |
| Use | For the synthesis of pharmaceuticals, pesticides, dyes and other organic compounds |
Cyclohexancarbonsure - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 2 |
| RTECS | GU8370000 |
| TSCA | Yes |
| HS Code | 29172090 |
Cyclohexancarbonsure - Reference
| Reference Show more | 1. [IF=13.273] Aiqun Kong et al."Highly selective electrocatalytic hydrogenation of benzoic acid over Pt/C catalyst supported on carbon fiber."CHEMICAL ENGINEERING JOURNAL. 2022 Oct;445:136719 |
Cyclohexancarbonsure - Nature
Open Data Verified Data
colorless plate-like or columnar crystals. The melting point was 28-30 °c. Slightly soluble in water, soluble in ethanol, ether and chloroform.
Last Update：2024-01-02 23:10:35
Cyclohexancarbonsure - Preparation Method
Open Data Verified Data
- catalytic hydrogenation of benzoic acid
- cyclohexanol method
Last Update：2022-01-01 10:38:52
Cyclohexancarbonsure - Use
Open Data Verified Data
This product is an organic synthetic raw material, can be used for the synthesis of anti-pregnancy 392 drugs and new drugs for the treatment of schistosomiasis praziquantel drugs; Also can be used as vulcanized rubber compatibilizer, oil clarifier.
Last Update：2022-01-01 10:38:52
Cyclohexancarbonsure - Reference Information
| FEMA | 3531 | CYCLOHEXANECARBOXYLIC ACID |
| LogP | 1.96 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | derivatives of cyclohexanoic acid, such: trans-4-isopropylcyclohexanecarboxylic acid is an intermediate for producing nateglinide, a new drug for treating diabetes, and methyl cyclohexoformate is also a very important intermediate, which is widely used. |
| Application | cyclohexanoic acid is an important organic synthesis intermediate, which is a good light curing agent, it can be used for the synthesis of praziquantel, a new drug for anti-pregnancy 392 and for the treatment of Schistosoma japonicum. |
| Use | organic synthetic raw materials, can be used for the synthesis of anti-pregnancy 392 drugs and new drugs for the treatment of schistosomiasis praziquantel drugs; it can also be used as a compatibilizer for vulcanized rubber and a clarifier for petroleum. used in the synthesis of pharmaceuticals, pesticides, dyes and other organic compounds gas chromatography stationary liquid (maximum temperature 100 ℃, solvent ether), vulcanized rubber solubilizer, mineral oil (oil oil) clarifier. |
| production method | 1. Obtained by catalytic hydrogenation of benzoic acid. 2. Obtained from the chlorination and carboxylation of cyclohexanol. |
Last Update：2024-04-09 02:00:12
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