19788-36-4

• 常用中文名：3,5-二甲基-4-羟甲基异噁唑
• 常用英文名：(3,5-Dimethyl-4-isoxazolyl)methanol
• CAS号：19788-36-4
• 分子式：C₆H₉NO₂
• 分子量：127.14100
• 发布时间：2019-01-02 10:22:31
• 更新时间：2024-01-07 17:34:36

名称

• 中文名: (3,5-二甲基-4-异恶唑基)甲醇
• 英文名: (3,5-Dimethylisoxazol-4-yl)methanol
• 中文别名: 3,5-二甲基-4-羟甲基异噁唑; 3,5-二甲基-4-羟甲基异噁唑; 4-羟甲基-3,5-二甲基异噁唑; (3,5-二甲基-4-异噁唑)甲醇
• 英文别名: (3,5-Dimethyl-4-isoxazolyl)methanol; (3,5-dimethyl-1,2-oxazol-4-yl)methanol

物化性质

• 密度: 1.137g/cm3
• 沸点: 96-97
• 熔点: 76ºC
• 分子式: C₆H₉NO₂
• 分子量: 127.14100
• 闪点: 112.1ºC
• 精确质量: 127.06300
• PSA: 46.26000
• LogP: 0.78370
• 蒸汽压: 0.00577mmHg at 25°C
• 折射率: 1.497
• 储存条件: 室温，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.3

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积46.3

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:97.1

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

MSDS

Name: (3 5-Dimethyl-4-isoxazolyl)methanol 97% Material Safety Data Sheet Synonym: CAS: 19788-36-4 Section 1 - Chemical Product MSDS Name:(3 5-Dimethyl-4-isoxazolyl)methanol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 19788-36-4 (3,5-Dimethyl-4-isoxazolyl)methanol 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. 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. 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 19788-36-4: 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: off-white Odor: distictive odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 96 - 97 deg C 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: C6H9NO2 Molecular Weight: 127 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 19788-36-4 unlisted. LD50/LC50: Not available. Carcinogenicity: (3,5-Dimethyl-4-isoxazolyl)methanol - 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 No information available. IMO No information available. RID/ADR No information available. 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# 19788-36-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 19788-36-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 19788-36-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36/37/39

合成路线

56328-87-1 ~69% 19788-36-4

文献：TEMPERO PHARMACEUTICALS, INC.; BALOGLU, Erkan; GHOSH, Shomir; LOBERA, Mercedes; SCHMIDT, Darby, R. Patent: WO2013/19626 A1, 2013 ; Location in patent: Page/Page column 26 ; WO 2013/019626 A1

2510-36-3 ~69% 19788-36-4

文献：Natale, Nicholas R.; Quincy, David A. Synthetic Communications, 1983 , vol. 13, # 10 p. 817 - 822

54593-26-9 ~% 19788-36-4

文献：WO2010/132999 A1, ; Page/Page column 109 ;

17147-42-1 ~% 19788-36-4

文献：US4843087 A1, ;

300-87-8 50-00-0 ~% 19788-36-4

文献：Journal of Heterocyclic Chemistry, , vol. 29, # 6 p. 1557 - 1560

19788-37-5 ~% 19788-36-4

文献：Zhurnal Obshchei Khimii, , vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768

300-87-8 ~% 19788-36-4

文献：Zhurnal Obshchei Khimii, , vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768

上下游产品

上游产品  7
56328-87-1 2510-36-3 54593-26-9 17147-42-1
300-87-8 50-00-0 19788-37-5
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54593-26-9 35166-20-2 19788-37-5 2510-36-3
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