4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester structure
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Common Name | 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester | ||
|---|---|---|---|---|
| CAS Number | 92003-63-9 | Molecular Weight | 1986.54000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C120H160O24 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester |
|---|---|
| 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.
| Molecular Formula | C120H160O24 |
|---|---|
| Molecular Weight | 1986.54000 |
| Exact Mass | 1985.13000 |
| PSA | 284.24000 |
| LogP | 22.64160 |
| InChIKey | POIUGBRGIAZDKG-UHFFFAOYSA-N |
| SMILES | CCOC(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)C2 |
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: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. 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. Wash mouth out with 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. Do NOT use mouth-to-mouth resuscitation. 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 chemical 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: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 92003-63-9: 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 to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. 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: Crystalline powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C120H160O24 Molecular Weight: 1986.60 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 92003-63-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-tert-Butylcalix(8)Arene Octaacetic Acid Octaethyl Ester - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 92003-63-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 92003-63-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 92003-63-9 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; |
|---|---|
| Risk Phrases | 36/37/38 |
| Safety Phrases | 37/39-26 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~88%
4-tert-butylcal... CAS#:92003-63-9 |
| Literature: Arnaud-Neu, Francoise; Collins, Elizabeth M.; Deasy, Mary; Ferguson, George; Harris, Stephen J.; at al. Journal of the American Chemical Society, 1989 , vol. 111, # 23 p. 8681 - 8691 |
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~%
4-tert-butylcal... CAS#:92003-63-9 |
| Literature: An, Lin; Cai, Ya Hua; Wang, Min-Hua; Yan, Chao Guo Journal of Chemical Research, 2006 , # 2 p. 75 - 77 |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| octaethyl p-tert-butylcalix[8]arene octaacetate |
| MFCD01863238 |
| 5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octaethoxycarbonylmethyleneoxycalix[8]arene |
| 4-tert-Butylcalix[8]arene octaacetic acid octaethyl ester |
| 5,11,17,23,29,35,41,47-P-TERT-BUTYL-49,50,51,52,53,54,55,56-OCTAKIS[(ETHOXYCARBONYL)-METHOXY]-CALIX[8]ARENE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: Safety information for 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester: 37/39-26. |
| Q: What is the InChIKey of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: InChIKey of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is POIUGBRGIAZDKG-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: Polar surface area (PSA) of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is 284.24000. |
| Q: What is the English name of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: The English name of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester. |
| Q: What English synonyms does 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester have? |
| A: English synonyms of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester: octaethyl p-tert-butylcalix[8]arene octaacetate, MFCD01863238, 5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octaethoxycarbonylmethyleneoxycalix[8]arene, 4-tert-Butylcalix[8]arene octaacetic acid octaethyl ester, 5,11,17,23,29,35,41,47-P-TERT-BUTYL-49,50,51,52,53,54,55,56-OCTAKIS[(ETHOXYCARBONYL)-METHOXY]-CALIX[8]ARENE. |
| Q: What is the SMILES notation of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: SMILES notation of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is CCOC(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)OCC)C2. |
| Q: What is the LogP of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: LogP of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is 22.64160. |
| Q: What is the CAS number of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: CAS number of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is 92003-63-9. |
| Q: What is the molecular formula of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: Molecular formula of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is C120H160O24. |
| Q: What is the molecular weight of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester? |
| A: Molecular weight of 4-tert-butylcalix(8)arene-octaacetic acid octaethyl ester is 1986.54000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |