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| 中文名 | 5-乙酰基-2,3-二氢苯并[b]呋喃 |
|---|---|
| 英文名 | 5-Acetyl-2,3-dihydrobenzo[b]furan |
| 中文别名 |
5-乙酰基-2,3-二氢苯并呋喃
5-乙酰基-2,3-二氢苯并呋喃 1-(2,3-二氢苯并[B]呋喃-5-基)-1-乙酮 |
| 英文别名 |
1-(2,3-Dihydro-5-benzofuranyl)ethanone
MFCD00068033 1-(2,3-Dihydro-1-benzofuran-5-yl)ethanone 5-Acetyl-2,3-dihydrobenzo[b]furan Ethanone, 1-(2,3-dihydro-5-benzofuranyl)- 1-(2,3-dihydro-5-benzofuranyl)-ethanone |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 308.6±31.0 °C at 760 mmHg |
| 熔点 | 56-59°C |
| 分子式 | C10H10O2 |
| 分子量 | 162.185 |
| 闪点 | 149.3±18.4 °C |
| 精确质量 | 162.068085 |
| PSA | 26.30000 |
| LogP | 1.75 |
| 外观性状 | 淡黄色结晶粉末 |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.557 |
| 储存条件 | 密闭，阴凉，干燥处 |
| 稳定性 | 按规定使用和贮存的不会分解，避氧化物 |
| 分子结构 | 1、 摩尔折射率：45.44 2、 摩尔体积（m3/mol）：141.0 3、 等张比容(90.2K)：363.2 4、 表面张力(dyne/cm)：43.9 5、 极化率(10-24cm3)：18.01 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.6 2.氢键供体数量:0 3.氢键受体数量:2 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26.3 7.重原子数量:12 8.表面电荷:0 9.复杂度:188 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 |
| 更多 | 1. 性状：固体 2. 密度（g/mL25 ºC）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：56-59 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC15mmHg）：120-121 7. 折射率：未确定 8. 闪点（ºC15mmHg）：120-121 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（kPa,）：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（正辛醇/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 |
Synonym:5-Acetyl-2,3-dihydrobenzo[b]fura Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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# 90843-31-5: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 56 - 59 deg C 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: C10H10O2 Molecular Weight: 162 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 90843-31-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(2,3-Dihydrobenzo[b]furan-5-yl)ethan-1-one - 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# 90843-31-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 90843-31-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 90843-31-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境
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| 危害码 (欧洲) | Xn |
|---|---|
| 风险声明 (欧洲) | R22:Harmful if swallowed. R42/43:May cause sensitization by inhalation and skin contact . |
| 安全声明 (欧洲) | S22-S36/37-S45 |
| 危险品运输编码 | 2811 |
| WGK德国 | 3 |
| RTECS号 | MU2800000 |
| 包装等级 | III |
| 危险类别 | 6.1(b) |
| 海关编码 | 2932999099 |
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~99%
90843-31-5 |
| 文献：KOWA COMPANY, LTD. Patent: US2010/280013 A1, 2010 ; Location in patent: Page/Page column 16 ; |
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~92%
90843-31-5 |
| 文献：AUCKLAND UNISERVICES LIMITED Patent: WO2006/104406 A1, 2006 ; Location in patent: Page/Page column 135 ; |
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~94%
90843-31-5 |
| 文献：Abbott Laboratories Patent: US5767144 A1, 1998 ; US 5767144 A |
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~94%
90843-31-5 |
| 文献：Smith, Keith; El-Hiti, Gamal A.; Jayne, Anthony J.; Butters, Michael Organic and Biomolecular Chemistry, 2003 , vol. 1, # 9 p. 1560 - 1564 |
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90843-31-5 |
| 文献：Synthesis, , # 12 p. 950 - 952 |
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90843-31-5 |
| 文献：Annales de Chimie (Cachan, France), , vol. <12> 4, p. 505,526 |
| 海关编码 | 2932999099 |
|---|---|
| 中文概述 | 2932999099. 其他仅含氧杂原子的杂环化合物. 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 | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
