硫酸甲酯钾

硫酸甲酯钾 基本信息
CAS号 562-54-9 分子式 CH3KO4S
分子量 150.19500 精确质量  149.93900
PSA  74.81000 LogP  0.17380

基本信息 展开↓

CAS号:
562-54-9
3D弹球模型:
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分子式:
CH3KO4S
分子量:
150.19500
中文名称:
硫酸甲酯钾
英文名称:
Methylsulfuric acid potassium salt
中文别名:
硫酸甲酯钾;
甲硫酸鉀
英文别名:
Methylsulfuric acid potassium salt;
potassium,methyl sulfate
精确分子量/精确质量:
149.93900
极性分子表面积/PSA:
74.81000
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:
MFCD00040472
EINECS:
209-231-3
InChI:
InChI=1/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1

物化性质展开↓

外观与性状:
白色结晶粉末
密度:
1.602g/cm3
熔点:
212-217 °C
水溶解性:
可溶
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:白色结晶状粉末,无气味

2.      密度(g/mL,20):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):212-217

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,8mmHg):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(kPa,18 ºC):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:溶于水

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/22;R36/37/38;R45
安全说明:
53-45-36/37/39-26
RTECS号:
MJ4500000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S53:避免暴露——使用前先阅读专门的说明。
:
危险标志:
T: Toxic;

合成路线查看所有的合成路线

  • 7732-18-5

  • +

  • 77-78-1

    硫酸二甲酯

  • 562-54-9

    硫酸甲酯钾

  • 2459-25-8

    2-萘甲酸甲酯

  • 739346-35-1

    naphthalene-2-acetic-8-sulphonic acid

  • +

  • 738561-48-3

    5-sulfo-2-naphthoic acid

  • 93-58-3

    苯酸甲酯

  • 562-54-9

    硫酸甲酯钾

  • +

  • 582-25-2

    苯甲酸钾

毒理性展开↓

生态数据:

对环境有危害,对水体有污染,禁止进入水体。

MSDS 展开↓

Name: Methylsulfuric acid potassium salt 99% (by sulfated potassium-ash) Material Safety Data Sheet
Synonym: Methyl Potassium Sulfate; Potassium Methyl Sulfat
CAS: 562-54-9
Section 1 - Chemical Product   MSDS Name:Methylsulfuric acid potassium salt 99% (by sulfated potassium-ash) Material Safety Data Sheet
Synonym:Methyl Potassium Sulfate; Potassium Methyl Sulfat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
562-54-9 Sulfuric acid, monomethyl ester, potas 99 209-231-3
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 digestive tract disturbances.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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.

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. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 562-54-9: 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. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 212.0 - 217.0 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: soluble in water
Specific Gravity/Density:
Molecular Formula: CH3KO4S
Molecular Weight: 150.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 562-54-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Sulfuric acid, monomethyl ester, potassium salt - 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# 562-54-9: No information available.
Canada
CAS# 562-54-9 is listed on Canada's NDSL List.
CAS# 562-54-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 562-54-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

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:4

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积74.8

7.重原子数量:7

8.表面电荷:0

9.复杂度:108

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:2

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