20567-38-8

• 常用中文名：4,5-二甲氧基-2-硝基肉桂酸
• 常用英文名：4,5-DIMETHOXY-2-NITROCINNAMIC ACID
• CAS号：20567-38-8
• 分子式：C₁₁H₁₁NO₆
• 分子量：253.20800
• 相关类别： 香精与香料 合成香料 芳香肉桂酸、酯及衍生物
• 发布时间：2018-12-31 18:28:29
• 更新时间：2024-01-09 18:26:15
• 下载msds

名称

• 中文名: 4,5-二甲氧基-2-硝基肉桂酸
• 英文名: 4,5-dimethoxy-2-nitrocinnamic acid
• 中文别名: 4,5-二甲基-2-硝基肉桂酸
• 英文别名: 4,5-Dimethoxy-2-nitrociamic acid; 6-Nitro-3.4-dimethoxy-trans-zimtsaeure; 4,5-Dimethoxy-2-nitrocinnamic acid; 3-(4,5-DIMETHOXY-2-NITROPHENYL)ACRYLIC ACID; 6-nitro-3.4-dimethoxy-trans-cinnamic acid; 2-Nitro-4,5-dimethoxy-trans-cinnamic acid; 6-nitro-3,4-dimethoxycinnamic acid; RARECHEM BK HW 0176; 2-nitro-4,5-dimethoxycinnamic acid; 3,4-DIMETHOXY-6-NITROCINNAMIC ACID; MFCD00017017

物化性质

• 密度: 1.369g/cm3
• 沸点: 482.9ºC at 760mmHg
• 熔点: 293 °C (dec.)(lit.)
• 分子式: C₁₁H₁₁NO₆
• 分子量: 253.20800
• 闪点: 245.8ºC
• 精确质量: 253.05900
• PSA: 101.58000
• LogP: 2.23300
• 外观性状: 黄色至绿色粉末
• 蒸汽压: 3.9E-10mmHg at 25°C
• 折射率: 1.604
• 储存条件:

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免接触强氧化剂

• 分子结构:

  1、 摩尔折射率：63.60

  2、 摩尔体积(m³/mol)：184.8

  3、 等张比容(90.2K)：500.8

  4、 表面张力(dyne/cm)：53.8

  5、 极化率(10-24cm³)：25.21

• 计算化学:

  1、疏水参数计算参考值（XlogP）:2.3

  2、氢键供体数量：0

  3、氢键受体数量：6

  4、可旋转化学键数量:3

  5、互变异构体数量：

  6、拓扑分子极性表面积（TPSA）:102

  7、重原子数量：18

  8、表面电荷：0

  9、复杂度：331

  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：1

  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：未确定

  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）：293

  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

MSDS

Name: 4 5-Dimethoxy-2-Nitrocinnamic Acid 97% Material Safety Data Sheet Synonym: 3-(4,5-Dimethoxy-2-Nitrophenyl)acrylic Acid CAS: 20567-38-8 Section 1 - Chemical Product MSDS Name:4 5-Dimethoxy-2-Nitrocinnamic Acid 97% Material Safety Data Sheet Synonym:3-(4,5-Dimethoxy-2-Nitrophenyl)acrylic Acid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 20567-38-8 4,5-Dimethoxy-2-Nitrocinnamic Acid 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW 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. 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: 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. Extinguishing Media: Use agent most appropriate to extinguish fire. 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: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 20567-38-8: 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: > 270 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H11NO6 Molecular Weight: 253.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 20567-38-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 4,5-Dimethoxy-2-Nitrocinnamic Acid - 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# 20567-38-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20567-38-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20567-38-8 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

生态学数据: 防止化学品进入地面或排水系统

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2918990090

合成路线

14737-89-4 ~0% 20567-38-8 118509-95-8

文献：Peterson, John R.; Do, Hoang D.; Dunham, Andrew J. Canadian Journal of Chemistry, 1988 , vol. 66, p. 1670 - 1674

141-82-2 20357-25-9 ~% 20567-38-8

文献：Archiv der Pharmazie (Weinheim, Germany), , vol. 272, p. 770,774

14737-89-4 ~% 20567-38-8

文献：Yakugaku Zasshi, , vol. 58, p. 402;engl.Ref.S.80 Chem.Abstr., , p. 6650

14737-89-4 7697-37-2 64-19-7 ~% 20567-38-8

文献：Yakugaku Zasshi, , vol. 58, p. 402;engl.Ref.S.80 Chem.Abstr., , p. 6650

上下游产品

上游产品  5
14737-89-4 141-82-2 20357-25-9 7697-37-2
64-19-7
下游产品  2
91133-47-0 402932-81-4

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%