1,2-Propanediol,1,2-bis(4-methylbenzenesulfonate), (2S)-
- 中文别名:(S)-(-)-1,2-丙二醇Di-甲苯磺酸盐
- 中文释义:(S)-(-)-1,2-丙二醇Di-甲苯磺酸盐;(S)-(-)-1,2-丙二醇-二-对甲苯磺酸
- 英文别名:(S)-(-)-1,2-Propanediol di-p-tosylate;
2-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate
- CAS No.:60434-71-1
- 分子式:
C17H20O6S2
- 分子量:384.47
- 精确分子量:384.07000
- PSA:103.50000
- MDL:MFCD00063307
- InChI:The Key: QSFWYZTZYVIPGD-HNNXBMFYSA-N
- 分子结构式:
物化性质
- 密度:
- 1.298g/cm3
- 熔点:
- 68-70 °C(lit.)
- 沸点:
- 546.8ºC at 760 mmHg
- 闪点:
- 284.5ºC
- 折射率:
- 1.559
- 存储条件/存储方法:
在密封的贮藏器内,并放置阴凉,干燥的地方通风保存
- 稳定性相关:
避免接触氧化物
- 其它信息:
1. 性状:白色晶体
2. 密度(g/cm3 20ºC ):未确定
3. 相对蒸汽密度(g/mL,空气=1):未确定
4. 熔点(ºC):68-70
5. 沸点(ºC):未确定
6. 沸点(ºC,5.2kPa):未确定
7. 折射率(°):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(kPa,20ºC):未确定
12. 饱和蒸气压(kPa,60ºC):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(25℃):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(mg/mL 20ºC):未确定
安全信息
- 密度:
- 1.298g/cm3
- 熔点:
- 68-70 °C(lit.)
- 沸点:
- 546.8ºC at 760 mmHg
- 闪点:
- 284.5ºC
- 折射率:
- 1.559
- 存储条件/存储方法:
在密封的贮藏器内,并放置阴凉,干燥的地方通风保存
- 稳定性相关:
避免接触氧化物
- 其它信息:
1. 性状:白色晶体
2. 密度(g/cm3 20ºC ):未确定
3. 相对蒸汽密度(g/mL,空气=1):未确定
4. 熔点(ºC):68-70
5. 沸点(ºC):未确定
6. 沸点(ºC,5.2kPa):未确定
7. 折射率(°):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(kPa,20ºC):未确定
12. 饱和蒸气压(kPa,60ºC):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(25℃):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(mg/mL 20ºC):未确定
毒理性
- 生态数据:
若无政府许可,勿将材料排入周围环境
MSDS
Name: | (s)-(-)-1 2-Propanediol di-p-tosylate 99% Material Safety Data Sheet |
Synonym: | None |
CAS: | 60434-71-1 |
Section 1 - Chemical Product MSDS Name:(s)-(-)-1 2-Propanediol di-p-tosylate 99% Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# | Chemical Name | content | EINECS# |
60434-71-1 | (S)-(-)-1,2-Propanediol di-p-tosylate | 99.0 | 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: 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:
Antidote: None reported.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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 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# 60434-71-1: 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:
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.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: white crystalline powder
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 68 - 70 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: C17H20O6S2
Molecular Weight: 384.47
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 60434-71-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-(-)-1,2-Propanediol di-p-tosylate - 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# 60434-71-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 60434-71-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 60434-71-1 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码:2905199090
- 概述:
- 2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 包装
- 摘要/Summary:
- 2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
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):3.3
2.氢键供体数量:0
3.氢键受体数量:6
4.可旋转化学键数量:7
5.互变异构体数量:无
6.拓扑分子极性表面积104
7.重原子数量:25
8.表面电荷:0
9.复杂度:601
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:1
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