15911-11-2

• 常用中文名：4-乙酰-5-甲基异恶唑-3-羧酸乙酯
• 常用英文名：Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate
• CAS号：15911-11-2
• 分子式：C₉H₁₁NO₄
• 分子量：197.18800
• 发布时间：2018-12-01 13:06:58
• 更新时间：2024-01-11 20:40:59

名称

• 中文名: 4-乙酰基-5-甲基异恶唑-3-甲酸乙酯
• 英文名: ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
• 中文别名: 5-乙基异噁唑-3,4-二羧酸二乙酯; 4-乙酰-5-甲基异恶唑-3-羧酸乙酯
• 英文别名: 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

物化性质

• 密度: 1.176g/cm3
• 沸点: 339.9ºC at 760mmHg
• 分子式: C₉H₁₁NO₄
• 分子量: 197.18800
• 闪点: 159.4ºC
• 精确质量: 197.06900
• PSA: 69.40000
• LogP: 1.36230
• 蒸汽压: 8.91E-05mmHg at 25°C
• 折射率: 1.483
• 储存条件: 室温

MSDS

Name: Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate Material Safety Data Sheet Synonym: CAS: 15911-11-2 Section 1 - Chemical Product MSDS Name:Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 15911-11-2 Ethyl 4-acetyl-5-methylisoxazole-3-car 97+% unlisted Hazard Symbols: XN 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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NY2360000 CHEMICAL NAME : 3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester CAS REGISTRY NUMBER : 15911-11-2 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C9-H11-N-O4 MOLECULAR WEIGHT : 197.21 WISWESSER LINE NOTATION : T5NOJ C1 DV1 EVO2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,885,1969

安全

• 海关编码: 2934999090

合成路线

14337-43-0 123-54-6 ~80% 15911-11-2

文献：Burkhart, David J.; Zhou, Peiwen; Blumenfeld, Alex; Twamley, Brendan; Natale, Nicholas R. Tetrahedron, 2001 , vol. 57, # 38 p. 8039 - 8046

95080-93-6 123-54-6 ~48% 15911-11-2

文献：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

216962-12-8 ~92% 15911-11-2

文献：Zhou, Peiwen; Natale Tetrahedron Letters, 1998 , vol. 39, # 45 p. 8249 - 8252

626-35-7 123-54-6 ~48% 15911-11-2

文献：Trogu, Elena; Cecchi, Luca; De Sarlo, Francesco; Guideri, Luca; Ponticelli, Fabio; Machetti, Fabrizio European Journal of Organic Chemistry, 2009 , # 34 p. 5971 - 5978

123-54-6 861135-87-7 ~% 15911-11-2

文献：Journal of Medicinal Chemistry, , vol. 46, # 6 p. 1055 - 1059

1118-67-8 14337-43-0 ~% 15911-11-2

文献：Gazzetta Chimica Italiana, , vol. 95, p. 1478 - 1491

上下游产品

上游产品  7
14337-43-0 123-54-6 95080-93-6 216962-12-8
626-35-7 861135-87-7 1118-67-8
下游产品  4
25505-97-9 15911-16-7 15911-15-6 3141-59-1

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%