季戊四醇四硬脂酸酯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 表征图谱

季戊四醇四硬脂酸酯 基本信息

中文名称:
季戊四醇四硬脂酸酯 
中文别名:
季戊四醇硬脂酸酯;
五赤藓醇四硬酯酸酯;
四硬脂酸季戊四酯;
季戊四醇四硬脂酸酯 
英文名称:
Pentaerythrityl tetrastearate
英文别名:
Pentaerythrityl tetrastearate;
PE TETRASTEARATE;
PENTAERYTHRITYL STEARATE;
Pentaerythritol Tetrastearate (so called);
Pentaerythritl tetrastearate;
pentaerythrityl tetraisostearate;
PENTAERYTHRITOL TETRASTEARATE;
tetra-O-stearoyl-pentaerythritol;
Tetra-O-stearoyl-pentaerythrit;
pentaerythritetetra-n-stearate;
Pentaerythritol tetraoctadecanoate 
CAS No.:
115-83-3
分 子 式:
C77H148O8
分 子 量:
1202.99
精确分子量:
1201.12000
PSA:
105.20000
MDL:
MFCD00041922
EINECS:
204-110-1
InChI:
InChI=1/C77H148O8/c1-7-11-15-19-23-27-31-35-39-43-47-51-55-59-63-67-72(78)82-71-76(5,6)77(83-73(79)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-2,84-74(80)69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-3)85-75(81)70-66-62-58-54-50-46-42-38-34-30-26-22-1
安全术语:
S24/25
分子结构式:
SDS:
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季戊四醇四硬脂酸酯 制备方法及用途

制备方法

油酸与季戊四醇酯化制得。

合成制备方法

油酸与季戊四醇酯化制得。

用途简介

用作橡胶助剂生产原料。可作润滑剂、润肤剂、增稠剂和光亮剂等。用于美容化妆品、纺织和皮革加工、润滑切削油、化学合成、防锈剂、增塑剂及层压加工等工业中。

用途

用作橡胶助剂生产原料。可作润滑剂、润肤剂、增稠剂和光亮剂等。用于美容化妆品、纺织和皮革加工、润滑切削油、化学合成、防锈剂、增塑剂及层压加工等工业中。

季戊四醇四硬脂酸酯 物化性质

外观与性状:
白色珠子
密度:
0.94
熔点:
60-66 °C
沸点:
261℃
闪点:
247℃
折射率:
1.4428 (80ºC)
存储条件/存储方法:


稳定性相关:

性状黄色液体。浓度为10%时溶于苯、庚烷、异丙醇和植物油呈浑浊。有润肤、增稠及润滑性能。

其它信息:

1.      性状:未确定

2.      密度(g/mL,20):0.94

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):71 

5.      沸点(ºC,常压):261

6.      沸点(ºC,KPa):未确定

7.      折射率:未确定

8.      闪点(ºC):247

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,ºC):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:未确定

季戊四醇四硬脂酸酯 安全信息

海关代码:
3824909990
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

季戊四醇四硬脂酸酯 毒理性

毒理学数据:


生态数据:


季戊四醇四硬脂酸酯 MSDS

Name: Pentaerythrityl Tetrastearate (Pract) Material Safety Data Sheet
Synonym: Octadecanoic Acid; 2,2-bis(1-Oxooctadecyl)Oxymethyl-1,3-Propanediyester
CAS: 115-83-3
Section 1 - Chemical Product   MSDS Name:Pentaerythrityl Tetrastearate (Pract) Material Safety Data Sheet
Synonym:Octadecanoic Acid; 2,2-bis(1-Oxooctadecyl)Oxymethyl-1,3-Propanediyester

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
115-83-3 Octadecanoic acid,2,2-bis(1-oxooctadec ca 100 204-110-1
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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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: 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.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 115-83-3: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 71 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:
Specific Gravity/Density: .9400g/cm3
Molecular Formula: C77H148O8
Molecular Weight: 1202.02

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, 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# 115-83-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Octadecanoic acid,2,2-bis(1-oxooctadecyl)oxymethyl-1,3-propa - 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.
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# 115-83-3: No information available.
Canada
CAS# 115-83-3 is listed on Canada's DSL List.
CAS# 115-83-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 115-83-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

季戊四醇四硬脂酸酯 分子结构与计算化学数据

分子结构数据


计算化学数据

1、   疏水参数计算参考值(XlogP):33.5

2、   氢键供体数量:0

3、   氢键受体数量:8

4、   可旋转化学键数量:76

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):105

7、   重原子数量:85

8、   表面电荷:0

9、   复杂度:1180

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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