21087-29-6

• 常用中文名：肉桂基氯
• 常用英文名：Cinnamyl chloride
• CAS号：21087-29-6
• 分子式：C₉H₉Cl
• 分子量：152.621
• 相关类别： 香精与香料 合成香料 羧酸及酯类香料 羧酸类
• 发布时间：2018-07-25 18:25:00
• 更新时间：2024-01-02 22:00:48

名称

• 中文名: 肉桂基氯
• 英文名: Cinnamyl chloride
• 中文别名: 3-氯-1-苯基-1-丙烯
• 英文别名: MFCD00000986; Benzene, (3-chloropropenyl)-; Benzene, (3-chloro-1-propenyl)-; 1-Propene, 3-chloro-1-phenyl-; 3-Phenyl-2-propenyl chloride; [(1E)-3-Chloro-1-propen-1-yl]benzene; (3-chloroprop-1-enyl)benzene; [(1E)-3-Chlorprop-1-en-1-yl]benzol; Benzene, [(1E)-3-chloro-1-propen-1-yl]-; (3-Chloro-propenyl)-benzene; benzene, [(1E)-3-chloro-1-propenyl]-; 3-Chloro-1-phenylpropene; Cinnamyl chloride; 3-chloro-1-phenyl-1-propene; [(1E)-3-Chloroprop-1-En-1-Yl]Benzene; Propene, 3-chloro-1-phenyl-

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 239.6±9.0 °C at 760 mmHg
• 熔点: 7ºC
• 分子式: C₉H₉Cl
• 分子量: 152.621
• 闪点: 79.4±0.0 °C
• 精确质量: 152.039276
• LogP: 3.16
• 外观性状: 黄色-棕色液体
• 蒸汽压: 0.1±0.5 mmHg at 25°C
• 折射率: 1.577
• 储存条件:

  密闭于0-6 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 水溶解性: 200 mg/L (20 ºC)
• 分子结构:

  1、 摩尔折射率：46.99

  2、 摩尔体积（m³/mol）：141.7

  3、 等张比容（90.2K）：348.6

  4、 表面张力（dyne/cm）：36.5

  5、 极化率（10^-24cm³）：18.62

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:101

  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：黄色-棕色液体

  2. 密度（g/mL,25/4℃）：1.096

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：−19

  5. 沸点（ºC,常压）：108 /12 mm Hg

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.584

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：可溶于水

MSDS

Name: Cinnamyl Chloride 95% Trans Material Safety Data Sheet Synonym: 3-Chloro-1-Phenyl-1-Propene; (3-Chloro-1-Propenyl)Benzen CAS: 21087-29-6 Section 1 - Chemical Product MSDS Name:Cinnamyl Chloride 95% Trans Material Safety Data Sheet Synonym:3-Chloro-1-Phenyl-1-Propene; (3-Chloro-1-Propenyl)Benzen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 21087-29-6 Cinnamyl Chloride 95 unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.Lachrymator (substance which increases the flow of tears). Potential Health Effects Eye: Causes eye irritation. Lachrymator (substance which increases the flow of tears). Skin: Causes skin irritation. Ingestion: Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes 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 immediately. 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 immediately. 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. Combustible liquid. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. 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. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) 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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 21087-29-6: 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: Liquid Color: clear yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 120 - 126 deg C @ 15.00mm Hg Freezing/Melting Point: 7 deg C Autoignition Temperature: Not available. Flash Point: 79 deg C ( 174.20 deg F) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: acetone, formic acid, benzene, ethyl eth Specific Gravity/Density: 1.0800g/cm3 Molecular Formula: C9H9Cl Molecular Weight: 152.62 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 21087-29-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Cinnamyl Chloride - 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: 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 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 37/39 Wear suitable gloves and eye/face protection. 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# 21087-29-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 21087-29-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 21087-29-6 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22;R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: UN 1760 8/PG 2
• WGK德国: 3
• RTECS号: CZ0919905
• 海关编码: 2942000000

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海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%