CAS Number98-89-5
SynonymsBenzoic acid,hexahydro; Cyclohexanoic acid; EINECS 202-711-3; Cyclohexylformic acid; Cyclohexylcarboxylic acid; Cyclohexylmethanoic acid; Cyelohexanecarboxylic acid; Cyclohexane-Carboxylic Acid; Cyclohexancarbonsaeure; Cyclohexane carboxylic acid; Carboxycyclohexane; Cyclohexanecarboxylic acid; Cyclohexanecarboxylicacid; Hexahydrobenzoic acid; CYCLOHEXANE-CARBOXYLICACID; 4-09-00-00016 (Beilstein Handbook Reference); BENZOIC ACID; MFCD00001461; L6TJ AVQ
Molecular FormulaC6H11CO2H
Molecular Weight128.17
Purity98%
Density1.1±0.1 g/cm3
Boiling Point232-233 °C (lit.)
Melting Point29-31 °C (lit.)
Appearancesolid
EINECS202-711-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 98-89-5 |
| Catalog No. | 2A-9014222 |
| Chinese Name | 环己甲酸 |
| Synonyms | Benzoic acid,hexahydro; Cyclohexanoic acid; EINECS 202-711-3; Cyclohexylformic acid; Cyclohexylcarboxylic acid; Cyclohexylmethanoic acid; Cyelohexanecarboxylic acid; Cyclohexane-Carboxylic Acid; Cyclohexancarbonsaeure; Cyclohexane carboxylic acid; Carboxycyclohexane; Cyclohexanecarboxylic acid; Cyclohexanecarboxylicacid; Hexahydrobenzoic acid; CYCLOHEXANE-CARBOXYLICACID; 4-09-00-00016 (Beilstein Handbook Reference); BENZOIC ACID; MFCD00001461; L6TJ AVQ |
| Molecular Formula | C6H11CO2H |
| Molecular Weight | 128.17 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 232-233 °C (lit.) |
| Melting Point | 29-31 °C (lit.) |
| Appearance | solid |
| Water Solubility | 0.201 g/100 mL (15 ºC) |
| Storage Condition | Store in a cool, dry, well-ventilated warehouse. K |
| Application | Cyclohexanecarboxylic acid is a structural analog of Valproate with anticonvulsant properties. |
| EINECS | 202-711-3 |
| HTC | 2916209090 |
| PubChem ID | 24846554 |
| MDL Number | MFCD00001461 |
| SMILES | OC(=O)C1CCCCC1 |
| InChI | 1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) |
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Beilstein/REAXYS | 970529 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/14222_1_98_89_5.pdf |
| Bioactivity | Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1]. Related Catalog Research Areas >> Neurological Disease Target Human Endogenous Metabolite References [1]. Liu MJ, et al. Pharmacokinetics and pharmacodynamics of valproate analogues in rats. IV. Anticonvulsant action and neurotoxicity of octanoic acid, cyclohexanecarboxylic acid, and 1-methyl-1-cyclohexanecarboxylic acid. Epilepsia. 1994 Jan-Feb;35(1):234-43. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 233.0±8.0 °C at 760 mmHg Melting Point 29-31 °C(lit.) Molecular Formula C7H12O2 Molecular Weight 128.169 Flash Point 107.0±13.1 °C Exact Mass 128.083725 PSA 37.30000 LogP 1.77 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.481 InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N SMILES O=C(O)C1CCCCC1 Water Solubility 0.201 g/100 mL (15 ºC) |
| Use of | Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1]. Properties Articles24 Name cyclohexanecarboxylic acid Synonym More Synonyms Cyclohexanecarboxylic acid Biological Activity Description Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1]. Related Catalog Research Areas >> Neurological Disease Human Endogenous Metabolite References [1]. Liu MJ, et al. Pharmacokinetics and pharmacodynamics of valproate analogues in rats. IV. Anticonvulsant action and neurotoxicity of octanoic acid, cyclohexanecarboxylic acid, and 1-methyl-1-cyclohexanecarboxylic acid. Epilepsia. 1994 Jan-Feb;35(1):234-43. Chemical & Physical Properties Molecular Formula C7H12O2 Exact Mass 128.083725 PSA 37.30000 Index of Refraction 1.481 InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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