bicyclo[3.2.1]octan-4-one structure
|
Common Name | bicyclo[3.2.1]octan-4-one | ||
|---|---|---|---|---|
| CAS Number | 5019-82-9 | Molecular Weight | 124.18000 | |
| Density | 1.039 g/cm3 | Boiling Point | 201.6ºC at 760 mmHg | |
| Molecular Formula | C8H12O | Melting Point | 118-124ºC | |
| MSDS | N/A | Flash Point | 68.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | bicyclo[3.2.1]octan-4-one |
|---|---|
| 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 | 1.039 g/cm3 |
|---|---|
| Boiling Point | 201.6ºC at 760 mmHg |
| Melting Point | 118-124ºC |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.18000 |
| Flash Point | 68.7ºC |
| Exact Mass | 124.08900 |
| PSA | 17.07000 |
| LogP | 1.76560 |
| Index of Refraction | 1.499 |
| InChIKey | SXFPXZSENHPCSH-UHFFFAOYSA-N |
| SMILES | O=C1CCC2CCC1C2 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:None Known 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: Immediately 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. 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 breathing is difficult, give oxygen. Get medical aid. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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. Clean up spills immediately, observing precautions in the Protective Equipment section. 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 ingestion and inhalation. Storage: Store in a cool, dry place. Keep container closed when not in use. 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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 5019-82-9: 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 and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 118.00 - 120.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H12O Molecular Weight: 124.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, strong oxidants, heat. 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# 5019-82-9 unlisted. LD50/LC50: Not available. Carcinogenicity: Bicyclo[3.2.1]Octan-2-One - 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# 5019-82-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5019-82-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5019-82-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Safety Phrases | S24/25 |
| HS Code | 2914299000 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914299000 |
|---|---|
| Summary | 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Bicyclo<3.2.1>octane-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does bicyclo[3.2.1]octan-4-one have? |
| A: English synonyms of bicyclo[3.2.1]octan-4-one: Bicyclooctane-2-one. |
| Q: What is the LogP of bicyclo[3.2.1]octan-4-one? |
| A: LogP of bicyclo[3.2.1]octan-4-one is 1.76560. |
| Q: What is the melting point of bicyclo[3.2.1]octan-4-one? |
| A: Melting point of bicyclo[3.2.1]octan-4-one is 118-124ºC. |
| Q: What is the CAS number of bicyclo[3.2.1]octan-4-one? |
| A: CAS number of bicyclo[3.2.1]octan-4-one is 5019-82-9. |
| Q: What is the English name of bicyclo[3.2.1]octan-4-one? |
| A: The English name of bicyclo[3.2.1]octan-4-one is bicyclo[3.2.1]octan-4-one. |
| Q: What is the safety information for bicyclo[3.2.1]octan-4-one? |
| A: Safety information for bicyclo[3.2.1]octan-4-one: S24/25. |
| Q: What is the boiling point of bicyclo[3.2.1]octan-4-one? |
| A: Boiling point of bicyclo[3.2.1]octan-4-one is 201.6ºC at 760 mmHg. |
| Q: What is the InChIKey of bicyclo[3.2.1]octan-4-one? |
| A: InChIKey of bicyclo[3.2.1]octan-4-one is SXFPXZSENHPCSH-UHFFFAOYSA-N. |
| Q: What is the molecular formula of bicyclo[3.2.1]octan-4-one? |
| A: Molecular formula of bicyclo[3.2.1]octan-4-one is C8H12O. |
| Q: What is the SMILES notation of bicyclo[3.2.1]octan-4-one? |
| A: SMILES notation of bicyclo[3.2.1]octan-4-one is O=C1CCC2CCC1C2. |