1123-19-9

• 常用中文名：3-乙酰-3-甲基二氢呋喃-2(3H)-酮
• 常用英文名：3-Acetyl-3-methyltetrahydrofuran-2-one
• CAS号：1123-19-9
• 分子式：C₇H₁₀O₃
• 分子量：142.15200
• 相关类别： 化学试剂 有机试剂 酯类 内酯类化合物
• 发布时间：2018-03-20 08:00:00
• 更新时间：2024-01-08 06:05:31

名称

• 中文名: a-乙酰-a-甲基-γ-丁内酯
• 英文名: 3-acetyl-3-methyloxolan-2-one
• 中文别名: 3-乙酰基-3-甲基四氢呋喃-2-酮; Α-乙酰-Α-甲基-Γ-丁内酯; ALPHA-乙酰-ALPHA-甲基-GAMMA-丁内酯; 3-乙酰基-3-甲基二氢呋喃-2(3H)-酮
• 英文别名: 3-acetyl-3-methyldihydrofuran-2(3H)-one; MFCD00005395; 2(3h)-Furanone,3-acetyldihydro-3-methyl; 2-methyl-2-acetylbutyrolactone; 3-acetyl-2,3,4,5-tetrahydro-3-methylfuran-2-one; 2-acetyl-2-methylbutyrolactone; EINECS 214-370-8; 3-acetyl-3-methyl-2-oxo-3,4,5-trihydrofuran

物化性质

• 密度: 1.15
• 沸点: 95ºC (5 torr)
• 分子式: C₇H₁₀O₃
• 分子量: 142.15200
• 闪点: 111ºC
• 精确质量: 142.06300
• PSA: 43.37000
• LogP: 0.52860
• 蒸汽压: 0.00585mmHg at 25°C
• 折射率: n20/D 1.456(lit.)
• 储存条件:

  密封、在 0-6 ºC下保存

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

• 分子结构:

  1、 摩尔折射率：34.00

  2、 摩尔体积（m³/mol）：125.9

  3、 等张比容（90.2K）：307.7

  4、 表面张力（dyne/cm）: 35.6

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：13.47

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  2.氢键供体数量:0

  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:2

  6.拓扑分子极性表面积43.4

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:185

  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:1

  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

• 更多:

  1. 性状：液体

  2. 密度（g/mL,25℃）：1.155

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,10mm）：120-122

  7. 折射率(n20/D)：1.456

  8. 闪点（ºF）：233

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: alpha-Acetyl-alpha-methyl-gamma-butyrolactone, 95% Material Safety Data Sheet Synonym: None. CAS: 1123-19-9 Section 1 - Chemical Product MSDS Name: alpha-Acetyl-alpha-methyl-gamma-butyrolactone, 95% Material Safety Data Sheet Synonym: None. SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1123-19-9 alpha-Acetyl-alpha-methyl-gamma-butyro 95 214-370-8 Hazard Symbols: None Listed. Risk Phrases: None Listed. SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Moisture sensitive.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: 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. 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: 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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation. Do not get water inside containers. SECTION 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture. 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# 1123-19-9: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear yellow to brown Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: 111 deg C ( 231.80 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.1550g/cm3 Molecular Formula: C7H10O3 Molecular Weight: 142.15 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, moisture, strong oxidants. Incompatibilities with Other Materials: Moisture, strong 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# 1123-19-9 unlisted. LD50/LC50: Not available. Carcinogenicity: alpha-Acetyl-alpha-methyl-gamma-butyrolactone - 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 1123-19-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1123-19-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1123-19-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 9/02/1997 Revision #6 Date: 2/02/2005 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 安全声明 (欧洲): S24/25
• WGK德国: 3
• 海关编码: 2932209090

合成路线

517-23-7 74-88-4 ~84% 1123-19-9

文献：Journal of the Chemical Society. Perkin Transactions 1, , # 4 p. 379 - 389

517-23-7 ~% 1123-19-9

文献：Journal of the American Chemical Society, , vol. 80, p. 6341,6345

105-45-3 ~% 1123-19-9

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 2585 - 2598

67-56-1 517-23-7 71-43-2 ~% 1123-19-9

文献：Zhurnal Obshchei Khimii, , vol. 27, p. 1042; engl. Ausg. S. 1124

海关

海关编码	2932209090
中文概述	2932209090. 其他内酯. 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	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%