1128-00-3

• 常用中文名：2-氨基-1-环己烯-1-甲酸乙酯
• 常用英文名：Ethyl 2-Amino-1-cyclohexene-1-carboxylate
• CAS号：1128-00-3
• 分子式：C₉H₁₅NO₂
• 分子量：169.22100
• 相关类别： 化学试剂 有机试剂 烯烃（环状与无环状）
• 发布时间：2018-10-05 18:16:33
• 更新时间：2024-01-03 09:30:05

名称

• 中文名: 2-氨基-1-环己烯-1-甲酸乙酯
• 英文名: Ethyl 2-Amino-1-cyclohexene-1-carboxylate
• 中文别名: 2-氨基-1-环己烯-1-羧酸乙酯
• 英文别名: Ethyl 2-amino-1-cyclohexene-1-carboxylate; ethyl 2-aminocyclohexene-1-carboxylate; Ethyl 2-aminocyclohex-1-enecarboxylate; 2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER

物化性质

• 密度: 1.13 g/cm3
• 沸点: 290.1ºC at 760 mmHg
• 熔点: 70-74ºC
• 分子式: C₉H₁₅NO₂
• 分子量: 169.22100
• 闪点: 129.3ºC
• 精确质量: 169.11000
• PSA: 52.32000
• LogP: 2.03660
• 外观性状: 白色或淡黄色晶体
• 蒸汽压: 0.00211mmHg at 25°C
• 折射率: 1.523
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  避免光照。

• 分子结构:

  1、摩尔折射率：46.4

  2、摩尔体积（cm³/mol）：157.4

  3、等张比容（90.2K）：396.3

  4、表面张力（dyne/cm）：40.1

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：18.39

  7、单一同位素质量：169.110279 Da

  8、标称质量：169 Da

  9、平均质量：169.2209 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  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:3

  5.互变异构体数量:5

  6.拓扑分子极性表面积52.3

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:209

  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：白色或浅黄色晶体

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：70-74

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,9mmHg）：未确定

  7. 折射率(n20/D)：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,55ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：溶于乙醚，氯仿，乙醇

MSDS

Name: Ethyl 2-amino-1-cyclohexene-1-carboxylate 98% Material Safety Data Sheet Synonym: None Known CAS: 1128-00-3 Section 1 - Chemical Product MSDS Name:Ethyl 2-amino-1-cyclohexene-1-carboxylate 98% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1128-00-3 Ethyl 2-amino-1-cyclohexene-1-carboxyl 98% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Light 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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. 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 breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Storage: Store in a cool, dry place. Store in a tightly closed container. Store protected from light. 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# 1128-00-3: 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: 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: Crystals Color: white to light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 70 - 74 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: soluble in ether, chloroform, ethanol Specific Gravity/Density: Molecular Formula: NH2C6H8COOCH2CH3 Molecular Weight: 169.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Light sensitive. Conditions to Avoid: Light, dust generation. 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# 1128-00-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 2-amino-1-cyclohexene-1-carboxylate - 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. WGK (Water Danger/Protection) CAS# 1128-00-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1128-00-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1128-00-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2922499990

合成路线

1655-07-8 ~99% 1128-00-3

文献：SYNGENTA PARTICIPATIONS AG; POULIOT, Martin; QUARANTA, Laura; TRAH, Stephan Patent: WO2013/26900 A1, 2013 ; Location in patent: Page/Page column 60 ;

6280-87-1 105-36-2 ~42% 1128-00-3 25654-24-4

文献：Synthesis (Germany), , vol. 44, # 12 art. no. SS-2012-C0191-ST, p. 1809 - 1817

6280-87-1 105-36-2 ~37% 1128-00-3

文献：Kim, Juhyun; Chun, Yusung; Shin, Hyunik; Lee, Sang-Gi Synthesis (Germany), 2012 , vol. 44, # 12 art. no. SS-2012-C0191-ST, p. 1809 - 1817

105-36-2 460356-12-1 ~61% 1128-00-3

文献：Kim, Ju Hyun; Shin, Hyunik; Lee, Sang-Gi Journal of Organic Chemistry, 2012 , vol. 77, # 3 p. 1560 - 1565

7664-41-7 1655-07-8 ~% 1128-00-3

文献：Justus Liebigs Annalen der Chemie, , vol. 317, p. 104

上下游产品

上游产品  4
1655-07-8 6280-87-1 105-36-2 7664-41-7
下游产品  7
91-22-5 5691-20-3 10500-57-9 1436-60-8
1005269-52-2 858279-01-3 79359-51-6

海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%