Name | ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate |
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Synonyms |
4-acetyl-5-methyl-isoxazole-3-carboxylic acid ethyl ester
3-ISOXAZOLECARBOXYLIC ACID,4-ACETYL-5-METHYL-,ETHYL ESTER ethyl 4-acetyl-5-methylixazole-3-carboxylate 4-Acetyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester ethyl 4-acetyl-5-methyl-3-isoxazolylcarboxylate 4-acetyl-5-methyl-isoxazole-3-carboxylate Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate |
Density | 1.176g/cm3 |
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Boiling Point | 339.9ºC at 760mmHg |
Molecular Formula | C9H11NO4 |
Molecular Weight | 197.18800 |
Flash Point | 159.4ºC |
Exact Mass | 197.06900 |
PSA | 69.40000 |
LogP | 1.36230 |
Vapour Pressure | 8.91E-05mmHg at 25°C |
Index of Refraction | 1.483 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. Chronic: Not available. 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. Ingestion: Get medical aid. 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. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 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# 15911-11-2: Personal Protective Equipment Eyes: Not available. 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 110 deg C @0.3mm Hg 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: C9H11NO4 Molecular Weight: 197.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 15911-11-2: NY2360000 LD50/LC50: CAS# 15911-11-2: Oral, rat: LD50 = 1 gm/kg. Carcinogenicity: Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: XN Risk Phrases: R 22 Harmful if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 15911-11-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 15911-11-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 15911-11-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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HS Code | 2934999090 |
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~80% 15911-11-2 |
Literature: Burkhart, David J.; Zhou, Peiwen; Blumenfeld, Alex; Twamley, Brendan; Natale, Nicholas R. Tetrahedron, 2001 , vol. 57, # 38 p. 8039 - 8046 |
~48% 15911-11-2 |
Literature: Matti, Afnan A.; Mirzaei, Joseph; Rudolph, John; Smith, Stephen A.; Newell, Jayme L.; Patel, Sarjubhai A.; Braden, Michael R.; Bridges, Richard J.; Natale, Nicholas R. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 21 p. 5931 - 5935 |
~92% 15911-11-2 |
Literature: Zhou, Peiwen; Natale Tetrahedron Letters, 1998 , vol. 39, # 45 p. 8249 - 8252 |
~48% 15911-11-2 |
Literature: Trogu, Elena; Cecchi, Luca; De Sarlo, Francesco; Guideri, Luca; Ponticelli, Fabio; Machetti, Fabrizio European Journal of Organic Chemistry, 2009 , # 34 p. 5971 - 5978 |
~% 15911-11-2 |
Literature: Journal of Medicinal Chemistry, , vol. 46, # 6 p. 1055 - 1059 |
~% 15911-11-2 |
Literature: Gazzetta Chimica Italiana, , vol. 95, p. 1478 - 1491 |
Precursor 7 | |
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DownStream 4 | |
HS Code | 2934999090 |
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Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |