反,反,顺-1,5,9-环十二烷基三烯 | 2765-29-9

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 反,反,顺-1,5,9-环十二烷基三烯
• 英文名称: cis,cis,trans-1,5,9-cyclododecatriene
• 英文别名: (Z,Z,E)-1,5,9-cyclododecatriene；cyclododeca-1c,5c,9t-triene；Cyclododeca-1c,5c,9t-trien；trans,trans,cis-cyclododeca-1,5,9-triene；(1Z,5E,9Z)-cyclododeca-1,5,9-triene
• CAS: 2765-29-9
• 化学式: C₁₂H₁₈
• 分子量: 162.275
• InChiKey: ZOLLIQAKMYWTBR-UDIJVJLMSA-N

物化性质

• 熔点：
  -18°C
• 沸点：
  237-239 °C(lit.)
• 密度：
  0.904 g/mL at 20 °C(lit.)
• 闪点：
  87°C
• 物理描述：
  1,5,9-cyclododecatriene appears as a colorless liquid. Toxic by skin absorption and ingestion and irritating to skin and eyes. Used to make other chemicals.
• 颜色/状态：
  Colorless
• 气味：
  Terpene-like odor
• 溶解度：
  In water, 0.47 mg/L at 25 °C (est)
• 蒸汽压力：
  0.07 mm Hg at 25 °C (est)
• 自燃温度：
  244 °C
• 折光率：
  Index of refraction: 1.508 at 20 °C/D
• 保留指数：
  1335;1344;1297;1297

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

毒理性

• 副作用

神经毒素 - 急性溶剂综合症

Neurotoxin - Acute solvent syndrome

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 毒性数据

大鼠LC50 = 7500毫克/立方米/6小时

LC50 (rat) = 7,500 mg/m3/6h

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 解毒与急救

立即急救：确保已经进行了充分去污。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、气囊面罩装置或口袋面罩，按训练进行操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者向前倾或将其置于左侧（如果可能，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗救助。/脂肪烃及其相关化合物/

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aliphatic hydrocarbons and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

基本治疗：建立专利气道（如需要，使用口咽或鼻咽气道）。必要时进行抽吸。观察呼吸不足的迹象，必要时辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，并在必要时治疗……。预测并治疗癫痫发作……。对于眼睛污染，立即用水冲洗眼睛。在转运过程中，用0.9%的生理盐水（NS）连续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能够吞咽，有强烈的呕吐反射，并且不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。给予活性炭……。使用快速复温技术治疗冻伤……。/脂肪烃及其相关化合物/

Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Treat frostbite with rapid rewarming techniques ... ./Aliphatic hydrocarbons and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于昏迷的患者、严重肺水肿的患者或严重呼吸窘迫的患者，考虑进行口咽或鼻咽气管插管以控制气道。使用带气囊的面罩进行正压通气技术可能有益。考虑对肺水肿进行药物治疗...。监测心率和必要时治疗心律失常...。开始静脉输注D5W/SRP：“保持开放”，最小流量/。如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸钠林格氏液（LR）。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象...。用地西泮或劳拉西泮治疗癫痫...。使用丙美卡因氢氯化物协助眼部冲洗...。/脂肪烃及其相关化合物/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously.Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aliphatic hydrocarbons and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  6.1(b)
• 危险品标志：
  Xn
• 安全说明：
  S23,S24/25,S61
• 危险类别码：
  R43,R20
• WGK Germany：
  2
• 海关编码：
  2902199090
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险品运输编号：
  UN 2518 6.1/PG 3

SDS

Name:	Trans Trans Cis-1 5 9-Cyclododecatriene 98+% Material Safety Data Sheet
Synonym:	None
CAS:	2765-29-9

Section 1 - Chemical Product MSDS Name:Trans Trans Cis-1 5 9-Cyclododecatriene 98+% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2765-29-9	Trans, Trans, Cis-1,5,9-Cyclododecatri	98+	220-437-2

Hazard Symbols: XN
Risk Phrases: 43 20

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
May cause sensitization by skin contact. Harmful by inhalation.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material. May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Repeated exposure may cause sensitization dermatitis.

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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:
Get medical aid. 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:

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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.
Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. 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. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 2765-29-9: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 237 deg C @ 760.00mm Hg
Freezing/Melting Point: -17 deg C
Autoignition Temperature: Not available.
Flash Point: 87 deg C ( 188.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8900g/cm3
Molecular Formula: C12H18
Molecular Weight: 162.27

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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, ignition sources, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2765-29-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trans, Trans, Cis-1,5,9-Cyclododecatriene - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: 1,5,9-CYCLODODECATRIENE
Hazard Class: 6.1
UN Number: 2518
Packing Group: III
IMO
Shipping Name: 1,5,9-CYCLODODECATRIENE
Hazard Class: 6.1
UN Number: 2518
Packing Group: III
RID/ADR
Shipping Name: 1,5,9-CYCLODODECATRIENE
Hazard Class: 6.1
UN Number: 2518
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20 Harmful by inhalation.
R 43 May cause sensitization by skin contact.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
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# 2765-29-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2765-29-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2765-29-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  反,反,顺-1,5,9-环十二烷基三烯 以 水 为溶剂， 生成 (5Z)-1,5,9-环十二碳三烯
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ag: MVol.B5, 1.3.2.9, page 73 - 75

  摘要：

  DOI：
• 作为产物：
  描述：

  (E,E)-2,5-Dibrom-cyclododeca-1,5-dien-9-in 在 氨 、 sodium 作用下， 生成 反,反,顺-1,5,9-环十二烷基三烯
  参考文献：
  名称：

  Trauer, Heiner; Haufe, Guenter, Zeitschrift fur Chemie, 1988, vol. 28, # 8, p. 290 - 291

  摘要：

  DOI：

文献信息

• Selective asymmetric dihydroxylation of polyenes
  作者：Heinrich Becker、Marcos A. Soler、K. Barry Sharpless

  DOI：10.1016/0040-4020(94)01021-q

  日期：1995.1

  The asymmetric dihydroxylation procedure (AD) is applied to a variety of polyenes. In many cases excellent regioselectivities are obtained. The observed selectivities are rationalized in terms of electronic and/or steric effects inherent to the substrate, superimposed on the substrate's favorable or unfavorable interactions with the binding pocket of the AD ligand. Surprisingly, for medium and large

  不对称二羟基化方法（AD）适用于多种多烯。在许多情况下，可获得极好的区域选择性。观察到的选择性根据底物固有的电子和/或空间效应合理化，并叠加在底物与AD配体的结合口袋的有利或不利相互作用上。令人惊讶地，对于具有反式-双键的中型和大型环烯烃，使用嘧啶配体实现了优异的对映选择性。由所有反式环十二碳三烯制备具有D 3对称性的六元醇。
• The preparation, reactions and structure of bis[bis(tricyclohexylphosphine)nickel] dinitrogen, {[(C6H11)3P]2Ni}2N2
  作者：P.W. Jolly、K. Jonas、C. Krüger、Y.-H. Tsay

  DOI：10.1016/s0022-328x(00)80809-8

  日期：1971.11
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: Org.Verb.1, 1.2.1.5.2.2, page 355 - 363
  作者：

  DOI：——

  日期：——
• Jonas, K., Diss. Bochum 1968
  作者：Jonas, K.

  DOI：——

  日期：——
• Jonas, K.; Heimbach, P.; Wilke, G., Angewandte Chemie, 1968, vol. 80, p. 1033
  作者：Jonas, K.、Heimbach, P.、Wilke, G.

  DOI：——

  日期：——

表征谱图