1-十二烯

1-十二烯 基本信息
CAS号 112-41-4 分子式 C12H24
分子量 168.31900 精确质量  168.18800
PSA  0.00000 LogP  4.70320

基本信息 展开↓

CAS号:
112-41-4
3D弹球模型:
立即前往扯扯看
分子式:
C12H24
分子量:
168.31900
中文名称:
1-十二烯
英文名称:
1-DODECENE
中文别名:
1-十二烯;
正十二烯;
十二碳烯
英文别名:
1-DODECENE;
dodeca-1-ene;
Neodene 12;
A-DOCECYLENE;
Neodene 6/12;
Dodecene-1;
laurylene;
Neodene 1012;
Adacene 12;
Dodec-1-ene;
1-dodecene oxide
精确分子量/精确质量:
168.18800
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00008961
EINECS:
203-968-4
PubChem:
24867662
BRN:
1699848
InChI:
The Key: CRSBERNSMYQZNG-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


由丙烯四聚而得。

合成制备方法


由丙烯四聚而得。

用途简介


用于有机合成,生产表面活性剂;洗涤剂;润滑油添加剂及增塑剂等。日本主要用于生产双十二碳烯苯酚。

用途


用于有机合成,生产表面活性剂;洗涤剂;润滑油添加剂及增塑剂等。日本主要用于生产双十二碳烯苯酚。

物化性质展开↓

外观与性状:
无色透明液体
密度:
0.758 g/mL at 20 °C(lit.)
熔点:
−35 °C(lit.)
沸点:
214-216 °C(lit.)
闪点:
172 °F
折射率:
n20/D 1.429(lit.)
蒸汽压:
0.234mmHg at 25°C
蒸汽密度:
5.8 (vs air)
存储条件/存储方法:
库房通风低温干燥,与氧化剂分开储运
稳定性相关:

1. 避免与强氧化物接触。

2. 存在于烟气中。

其它信息:

1.      性状:无色液体

2.      密度(g/mL,25℃):0.760

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-33.6

5.      沸点(ºC,常压):213

6.      沸点(ºC, KPa):未确定

7.      折射率 (n20D) :1.43

8.      闪点(ºC):73

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(mmHg,70ºC):未确定

12.   饱和蒸气压(kPa, ºC):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:溶于醇;醚;丙酮;石油醚;不溶于水。

安全信息展开↓

包装等级:
III
风险类别:
3.2
海关代码:
2901299090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R43
安全说明:
S36/37-S45-S23
RTECS号:
JR5120000
安全标志:
S36:穿戴合适的防护服装。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 143-15-7

    溴代十二烷

  • ~99%

  • 112-41-4

    1-十二烯

  • 101751-32-0

    1,1,2,2-tetramethyl-1-((Z)-1'-dodecenyl)-2-phenyldisilane

  • ~99%

  • 112-41-4

    1-十二烯

  • 765-03-7

    1-十二炔

  • ~99%

  • 112-41-4

    1-十二烯

化学图谱

  1. 1-十二(碳)烯红外图谱(IR1)

  2. 1-十二(碳)烯红外图谱(IR2)

  3. 1-十二(碳)烯质谱(MS)

  4. 1-十二(碳)烯核磁图(13CNMR)

  5. 1-十二(碳)烯Raman光谱

  6. 1-十二(碳)烯核磁图(1HNMR)

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毒理性展开↓

毒理学数据:

 急性毒性:小鼠经皮LCL0:10gm/kg

生态数据:

对水体没有危害。

MSDS 展开↓

Name: 1-Dodecene (pract) 97% (gc) Material Safety Data Sheet
Synonym:
CAS: 112-41-4
Section 1 - Chemical Product   MSDS Name:1-Dodecene (pract) 97% (gc) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
112-41-4 1-Dodecene, 95% 203-968-4
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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.
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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 112-41-4: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: clear colorless to slightly yellow
Odor: none reported
pH: Not available.
Vapor Pressure: 0.22 mbar @ 20
Viscosity: Not available.
Boiling Point: 101 deg C @ 14.00mm Hg
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not available.
Flash Point: 163 deg F ( 72.78 deg C)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .7620g/cm3
Molecular Formula: C12H24
Molecular Weight: 168.32

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Bases - oxidizing agents - reducing 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# 112-41-4: JR5120000 LD50/LC50:
Not available.
Carcinogenicity:
1-Dodecene, 95% - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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# 112-41-4: No information available.
Canada
CAS# 112-41-4 is listed on Canada's DSL List.
CAS# 112-41-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 112-41-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2901299090

概述:
2901299090 其他不饱和无环烃。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 用作气体燃料的应报明包装容器容积, 散装货物应报明
摘要/Summary:
2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:57.36

2、   摩尔体积(cm3/mol):221.7

3、   等张比容(90.2K):498.5

4、   表面张力(dyne/cm):25.5

5、   介电常数(F/m):2.11

6、   极化率(10-24cm3):22.74

计算化学数据


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:9

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:12

8.表面电荷:0

9.复杂度:84

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

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