3-甲基硫醇-1,2-二醇丙烷

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

3-甲基硫醇-1,2-二醇丙烷 基本信息

中文名称:
3-甲基硫醇-1,2-二醇丙烷 
中文别名:
3-甲基硫醇-1,2-二醇丙烷;
CH3SCH2CH(OH)CH2OH 
英文名称:
1,2-Propanediol,3-(methylthio)-
英文别名:
3-methylsulfanylpropane-1,2-diol;
3-(methylthio)-propane-1,2-diol;
EINECS 245-073-1;
3-methylthio-1,2-propanediol;
D,L-3-(methylthio)-1,2-propanediol;
1,2-Propanediol,3-(methylthio);
FXIHXPKPLPKPJH-UHFFFAOYSA 
CAS No.:
22551-26-4
分 子 式:
C4H10O2S
分 子 量:
122.19
精确分子量:
122.04000
PSA:
65.76000
MDL:
MFCD00004724
EINECS:
245-073-1
InChI:
The Key: FXIHXPKPLPKPJH-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S37/S39
分子结构式:
SDS:
查看

3-甲基硫醇-1,2-二醇丙烷 物化性质

外观与性状:
透明无色液体
密度:
1.175 g/cm3
沸点:
261.4ºC at 760 mmHg
闪点:
127.6ºC
折射率:
n20/D 1.516(lit.)
蒸汽压:
0.00166mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):1.164

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.516

8.       闪点(ºC):113

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

3-甲基硫醇-1,2-二醇丙烷 安全信息

海关代码:
2930909090
危险类别码:
R36/37/38
安全说明:
S26-S37-S39
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。
:
危险标志:
Xi: Irritant;

3-甲基硫醇-1,2-二醇丙烷 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

3-甲基硫醇-1,2-二醇丙烷 MSDS

Name: 3-Methylthio-1 2-propanediol 99% Material Safety Data Sheet
Synonym: None
CAS: 22551-26-4
Section 1 - Chemical Product   MSDS Name:3-Methylthio-1 2-propanediol 99% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
22551-26-4 3-methylthio-1,2-propanediol 99.0 245-073-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Vapors may cause eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause digestive tract disturbances.
Inhalation:
Vapor or mist is irritating to the mucous membranes and upper respiratory tract.
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 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:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.
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.

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. Provide ventilation.

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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22551-26-4: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1640g/cm3
Molecular Formula: C4H10O2S
Molecular Weight: 122.18

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
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# 22551-26-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-methylthio-1,2-propanediol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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# 22551-26-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22551-26-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22551-26-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-甲基硫醇-1,2-二醇丙烷 海关数据

中国海关编码:2930909090

概述:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-甲基硫醇-1,2-二醇丙烷 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:31.60

2   摩尔体积m3/mol103.9

3   等张比容(90.2K):272.7

4   表面张力dyne/cm47.4

5   极化率10-24cm312.52

计算化学数据

1.疏水参数计算参考值(XlogP):-0.4

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积65.8

7.重原子数量:7

8.表面电荷:0

9.复杂度:40.7

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

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