20349-89-7
20349-89-7结构式
- 常用中文名：甲基3-(2-羟基苯基)丙酸甲酯
- 常用英文名：METHYL 3-(2-HYDROXYPHENYL)PROPIONATE
- CAS号：20349-89-7
- 分子式：C10H12O3
- 分子量：180.20000
- 发布时间：2018-06-14 07:38:08
- 更新时间：2024-01-08 14:44:21
| 中文名 | 3-(2-羟苯基)丙酸甲酯 |
|---|---|
| 英文名 | methyl 3-(2-hydroxyphenyl)propanoate |
| 中文别名 | 3-(2-羟基苯基)丙酸甲酯 |
| 英文别名 |
3-(2-hydroxyphenyl)propanoic acid methyl ester
methyl 3-(2-hydroxyphenyl)propionate methyl 2-(2-hydroxyphenyl)propionate o-hydrocoumaric acid methyl ester 3-(2-hydroxyphenyl)-propionic acid methyl ester MFCD00067757 2-hydroxybenzenepropanoic acid methyl ester |
| 密度 | 1.146g/cm3 |
|---|---|
| 沸点 | 280.2ºC at 760 mmHg |
| 熔点 | 40ºC |
| 分子式 | C10H12O3 |
| 分子量 | 180.20000 |
| 闪点 | 116.6ºC |
| 精确质量 | 180.07900 |
| PSA | 46.53000 |
| LogP | 1.49780 |
| 蒸汽压 | 0.00225mmHg at 25°C |
| 折射率 | 1.532 |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 如果遵照规格使用和储存则不会分解 避免接触氧化物 |
| 分子结构 | 五、分子性质数据： 1、 摩尔折射率：48.72 2、 摩尔体积(m3/mol)：157.1 3、 等张比容(90.2K)：403.1 4、 表面张力(dyne/cm)：43.2 5、 极化率(10-24cm3)：19.31 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 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:4 5.互变异构体数量:3 6.拓扑分子极性表面积46.5 7.重原子数量:13 8.表面电荷:0 9.复杂度:168 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：晶体状粉末 2.密度（g/mL,25/4℃）：未确定 3.相对蒸汽密度（g/mL,空气=1）：未确定 4.熔点（ºC）：40-42 5.沸点（ºC,常压）：未确定 6.沸点（ºC,5.2kPa）：未确定 7.折射率：未确定 8.闪点（ºC）：未确定 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,25ºC）：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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes 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. 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: 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# 20349-89-7: 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: Not available. Freezing/Melting Point: 40 - 42 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: C10H12O3 Molecular Weight: 180.2 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# 20349-89-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 3-(2-hydroxyphenyl)propanoate - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 20349-89-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20349-89-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20349-89-7 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) | Xi:Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S37/39 |
| 海关编码 | 2918290000 |
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20349-89-7 |
| 文献：Williams, John D.; Khan, Atiyya R.; Cardinale, Steven C.; Butler, Michelle M.; Bowlin, Terry L.; Peet, Norton P. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 1 p. 419 - 434 |
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~85%
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| 文献：Sugimoto, Hiromichi; Nakamura, Satoshi; Ohwada, Tomohiko Advanced Synthesis and Catalysis, 2007 , vol. 349, # 4-5 p. 669 - 679 |
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~10%
20349-89-7 |
| 文献：Barton, Patrick; Laws, Andrew P.; Page, Michael I. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1994 , # 9 p. 2021 - 2030 |
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| 文献：Advanced Synthesis and Catalysis, , vol. 349, # 4-5 p. 669 - 679 |
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| 文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 407 - 410 |
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| 文献：DE562827 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 19, p. 655 |
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| 文献：Advanced Synthesis and Catalysis, , vol. 349, # 4-5 p. 669 - 679 |
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| 文献：Advanced Synthesis and Catalysis, , vol. 349, # 4-5 p. 669 - 679 |
|
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| 文献：Bioorganic and Medicinal Chemistry, , vol. 22, # 1 p. 419 - 434 |
| 上游产品 8 | |
|---|---|
| 下游产品 3 | |
| 海关编码 | 2918290000 |
|---|---|
| 中文概述 | 2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| 监管条件 | A.入境货物通关单 B.出境货物通关单 |
| 检验检疫 | R.进口食品卫生监督检验 S.出口食品卫生监督检验 |
| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |