醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 基本信息

中文名称:
醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 
中文别名:
(S)-(-)-1,1,2-三苯基-1,2-丁二醇2-醋酸酯;
醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯;
(S)-(-)-2-羟基-1,2,2-三苯基乙酸乙酯 
英文名称:
1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)-
英文别名:
(S)-(-)-2-Hydroxy-1,2,2-Triphenylethyl Acetate;
[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate 
CAS No.:
95061-51-1
分 子 式:
C22H20O3
分 子 量:
332.39
精确分子量:
332.14100
PSA:
46.53000
MDL:
MFCD00066241
InChI:
InChI=1/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
安全术语:
S24/25
分子结构式:
SDS:
查看

醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 物化性质

外观与性状:
白色至淡黄色晶体粉末
密度:
1.18g/cm3
熔点:
246-249 °C
沸点:
487.6ºC at 760mmHg
闪点:
197.6ºC
折射率:
1.603
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与不相容材料接触。与强氧化剂反应。

其它信息:

1.      性状:白色粉末

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):246-249

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.1mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

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,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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

醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 安全信息

海关代码:
2915390090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 MSDS

Name: (S)-(-)-2-Hydroxy-1 2 2-triphenylethyl acetate 99% Material Safety Data Sheet
Synonym: (S)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate
CAS: 95061-51-1
Section 1 - Chemical Product   MSDS Name:(S)-(-)-2-Hydroxy-1 2 2-triphenylethyl acetate 99% Material Safety Data Sheet
Synonym:(S)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
95061-51-1 (S)-(-)-2-Hydroxy-1,2,2-triphenylethyl 99% unlisted
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. 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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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 water spray, dry chemical, carbon dioxide, or chemical 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. Use with adequate ventilation.
Minimize dust generation and accumulation. 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 cool, dry place. Store in a tightly closed container.

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# 95061-51-1: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 248 - 252 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:
Molecular Formula: C22H20O3
Molecular Weight: 332.1382

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 95061-51-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate - 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.
WGK (Water Danger/Protection)
CAS# 95061-51-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 95061-51-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 95061-51-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 海关数据

中国海关编码:2915390090

概述:
2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):4

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积46.5

7.重原子数量:25

8.表面电荷:0

9.复杂度:397

10.同位素原子数量:0

11.确定原子立构中心数量:1

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

醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯 上游产品

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产品名称:(S)-(-)-1,1,2-三苯基-1,2-丁二醇2-醋酸酯 Cas号:95061-51-1 纯度:98%-99% 包装信息:2kg 价格:洽谈
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