1-Phenylcyclohexanecarboxylic acid structure
|
Common Name | 1-Phenylcyclohexanecarboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 1135-67-7 | Molecular Weight | 204.265 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 353.9±21.0 °C at 760 mmHg | |
| Molecular Formula | C13H16O2 | Melting Point | 119-124 °C | |
| MSDS | N/A | Flash Point | 165.0±16.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-phenyl-1-cyclohexanecarboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 353.9±21.0 °C at 760 mmHg |
| Melting Point | 119-124 °C |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.265 |
| Flash Point | 165.0±16.7 °C |
| Exact Mass | 204.115036 |
| PSA | 37.30000 |
| LogP | 3.24 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.554 |
| InChIKey | QXXHHHWXFHPNOS-UHFFFAOYSA-N |
| SMILES | O=C(O)C1(c2ccccc2)CCCCC1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:1-Phenylcyclohexane-1-carboxylic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1135-67-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: beige - brown Odor: None reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 121 - 123 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: Not available. Molecular Formula: C13H16O2 Molecular Weight: 204.27 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1135-67-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Phenyl-1-cyclohexanecarboxylic acid - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 1135-67-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1135-67-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1135-67-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 8 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-phenylcyclohexane-1-carboxylic acid |
| MFCD00037152 |
| 1-Phenyl-1-cyclohexanecarboxylic acid |
| EINECS 214-495-8 |
| 1-Phenylcyclohexanecarboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: The English name of 1-phenyl-1-cyclohexanecarboxylic acid is 1-phenyl-1-cyclohexanecarboxylic acid. |
| Q: What is the molecular formula of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: Molecular formula of 1-phenyl-1-cyclohexanecarboxylic acid is C13H16O2. |
| Q: What is the CAS number of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: CAS number of 1-phenyl-1-cyclohexanecarboxylic acid is 1135-67-7. |
| Q: What is the safety information for 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: Safety information for 1-phenyl-1-cyclohexanecarboxylic acid: S24/25. |
| Q: What is the SMILES notation of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: SMILES notation of 1-phenyl-1-cyclohexanecarboxylic acid is O=C(O)C1(c2ccccc2)CCCCC1. |
| Q: What is the InChIKey of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: InChIKey of 1-phenyl-1-cyclohexanecarboxylic acid is QXXHHHWXFHPNOS-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: Polar surface area (PSA) of 1-phenyl-1-cyclohexanecarboxylic acid is 37.30000. |
| Q: What is the LogP of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: LogP of 1-phenyl-1-cyclohexanecarboxylic acid is 3.24. |
| Q: What is the boiling point of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: Boiling point of 1-phenyl-1-cyclohexanecarboxylic acid is 353.9±21.0 °C at 760 mmHg. |
| Q: What is the melting point of 1-phenyl-1-cyclohexanecarboxylic acid? |
| A: Melting point of 1-phenyl-1-cyclohexanecarboxylic acid is 119-124 °C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |