CAS 98-89-5|Cyclohexanecarboxylic acid
| Common Name | Cyclohexanecarboxylic acid | ||
|---|---|---|---|
| CAS Number | 98-89-5 | Molecular Weight | 128.169 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 233.0±8.0 °C at 760 mmHg |
| Molecular Formula | C7H12O2 | Melting Point | 29-31 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 107.0±13.1 °C |
| Symbol | GHS05, GHS07 | Signal Word | Danger |
Names
| Name | cyclohexanecarboxylic acid |
|---|---|
| Synonym | More Synonyms |
Cyclohexanecarboxylic acid BiologicalActivity
| Description | 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) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3265 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
Safety Information
| Symbol | GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | GU8370000 |
| HS Code | 2916209090 |
Customs
| HS Code | 2916209090 |
|---|---|
| Summary | 2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Benzoic acid,hexahydro |
| Cyclohexanoic acid |
| EINECS 202-711-3 |
| Cyclohexylformic acid |
| Cyclohexylcarboxylic acid |
| Cyclohexylmethanoic acid |
| CYCLOHEXANECARBOXYLIC ACID FOR SYNTHESIS |
| 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 |
| Cyclohexanecarboxylic Acid (500 mg) |
| MFCD00001461 |
| L6TJ AVQ |
