27193-69-7 (三甲基-1,5,9-环十二烷三烯,1,5,9-Cyclododecatriene,trimethyl- (6CI,7CI,8CI,9CI))

CAS号:
27193-69-7
中文名称:
三甲基-1,5,9-环十二烷三烯
英文名称:
1,5,9-Cyclododecatriene,trimethyl- (6CI,7CI,8CI,9CI)
分子式:
C15H24
分子量:
204.351064682007

三甲基-1,5,9-环十二烷三烯(27193-69-7)名称与标识符

名称

中文别名:
三甲基-1,5,9-环十二烷三烯;
英文别名:
1,5,9-Cyclododecatriene,trimethyl- (6CI,7CI,8CI,9CI);1 5 9-TRIMETHYL-1 5 9-CYCLODODECATRIENE, MIXTURE OF ISOMERS;TRIMETHYL-1,5,9-CYCLODODECATRIENE;1,5 9-TRIMETHYL-1,5 9-CYCLODODECATRIENE;1,5,9-TRIMETHYL CYCLODODECATRIENE;9-cyclododecatriene,trimethyl-5;Trimethyl-1,5,9-cyclododecatriene,mixtureof isomers;trimethylcyclododeca-1,5,9-triene;TRIMETHYLCYCLODODECATRIENE;W-110690;27193-69-7;EINECS 248-311-2;AKOS024318878;1,5,9-Cyclododecatriene, trimethyl-;

标识符

InChIKey:
XOTMHDVYZZBKEJ-NQJXNNKBSA-N
Inchi:
1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7+,14-11+,15-10+
SMILES:
C1C(C)=CCCC(C)=CCCC(C)=CC1 |t:2,7,12|

三甲基-1,5,9-环十二烷三烯(27193-69-7)物化性质

实验特性

  • LogP : 5.03540
  • PSA : 0.00000
  • 折射率 : 1.5106-1.5126
  • 沸点 : 277.87°C (rough estimate)
  • 闪点 : 119°C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 0.88

计算特性

  • 精确分子量 : 204.18800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 同位素质量 : 204.187801
  • 重原子数量 : 15
  • 复杂度 : 229
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 3
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.9
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 0

三甲基-1,5,9-环十二烷三烯(27193-69-7)安全信息

三甲基-1,5,9-环十二烷三烯(27193-69-7)相关文献

三甲基-1,5,9-环十二烷三烯(27193-69-7) MSDS

基础信息

Name:Trimethyl-1 5 9-Cyclododecatriene (Mixture of Isomers) 98% Material Safety Data Sheet
Synonym:None Known
CAS:27193-69-7
Section 1 - Chemical Product ? MSDS Name:Trimethyl-1 5 9-Cyclododecatriene (Mixture of Isomers) 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
27193-69-7Trimethyl-1,5,9-Cyclododecatriene98248-311-2
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. No information found.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. No information available.
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. Will burn if involved in a fire. Containers may explode in the heat of a fire.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. 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# 27193-69-7: 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: Clear liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8880g/cm3
Molecular Formula: C15H24
Molecular Weight: 204.36

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, excess heat, strong oxidants.
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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 27193-69-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trimethyl-1,5,9-Cyclododecatriene - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 27193-69-7: No information available.
Canada
CAS# 27193-69-7 is listed on Canada's DSL List.
CAS# 27193-69-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27193-69-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A