3-甲基硫醇-1,2-二醇丙烷 | 22551-26-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲基硫醇-1,2-二醇丙烷
• 中文别名: 3-(甲基巯基)丙烷-1,2-二醇
• 英文名称: 3-(methylthio)-1,2-propanediol
• 英文别名: 3-methylthiopropane-1,2-diol；3-methylsulfanylpropane-1,2-diol
• CAS: 22551-26-4
• 化学式: C₄H₁₀O₂S
• mdl: MFCD00004724
• 分子量: 122.188
• InChiKey: FXIHXPKPLPKPJH-UHFFFAOYSA-N

物化性质

• 沸点：
  197.63°C (rough estimate)
• 密度：
  1.164 g/mL at 25 °C(lit.)
• 闪点：
  113 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37,S39
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090

SDS

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

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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

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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

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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.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-甲基硫醇-1,2-二醇丙烷 反应 54.0h， 以65%的产率得到(R)-3-Methylthio-1,2-propanediol
  参考文献：
  名称：

  Hasegawa, Junzo; Ogura, Masahiro; Tsuda, Satoru, Agricultural and Biological Chemistry, 1990, vol. 54, # 7, p. 1819 - 1827

  摘要：

  DOI：
• 作为产物：
  描述：

  1-硫代甘油 、 碘甲烷 生成 3-甲基硫醇-1,2-二醇丙烷
  参考文献：
  名称：

  BOSIES, E.;GALL, R.;WEIMANN, G.;BICKER, U.;PAHLKE, W.

  摘要：

  DOI：

文献信息

• Glycerol kinase: substrate specificity
  作者：Debbie C. Crans、George M. Whitesides

  DOI：10.1021/ja00310a044

  日期：1985.11

  studies indicate that glycerol kinase accepts a range of substituents in place of one terminal hydroxyl group (that which is not phosphorylated), and that the hydrogen atcm atC-2 can be replaced by a methyl group. Replacement of the second terminal hydroxyl group (that which is normally phosphorylated) by other nucleophilic centers usually results in loss of activity. Glycerol kinase is a useful catalyst

  甘油激酶（8.C. 2.7.1.30，ATP：甘油-3-磷酸转移酶）催化 28 个氮、硫和烷基取代的甘油的磷酸化。对 66 种类似物的调查已定性地定义了作为该酶底物可接受性的结构特征。该调查是使用基于 31P NMR 光谱的测定法进行的，该测定法检测甚至通过缓慢反应产生的产物。这些研究表明，甘油激酶接受一系列取代基来代替一个末端羟基（未磷酸化的），并且 C-2 处的氢原子可以被甲基取代。第二个末端羟基（通常被磷酸化的）被其他亲核中心取代通常会导致活性丧失。甘油激酶是合成手性有机物质的有用催化剂，尤其是制备磷脂和类似物的原料。四种微生物（念珠菌属、酵母菌、大肠杆菌和嗜热脂肪芽孢杆菌）的酶动力学常数的比较表明它们之间几乎没有变化。所有磷酸化产物都具有类似于 sn-甘油-3-磷酸酯的立体化学。
• Galbraith, John A.; Menzel, Kent A.; Ratilla, Eva Marie A., Inorganic Chemistry, 1987, vol. 26, # 13, p. 2073 - 2078
  作者：Galbraith, John A.、Menzel, Kent A.、Ratilla, Eva Marie A.、Kostić, Nenad M.

  DOI：——

  日期：——
• Efficiency of a Ruthenium Catalyst in Metathesis Reactions of Sulfur-Containing Compounds
  作者：Gaëlle Spagnol、Marie-Pierre Heck、Steven P. Nolan、Charles Mioskowski

  DOI：10.1021/ol025834w

  日期：2002.5.1

  [GRAPHICS]1,3-Dimesitylimidazol-2-ylidene ruthenium benzylidene catalyst (RuCl2(=C(H)Ph)(PCy3)(IMes)) has been successfully employed in ring-closing metathesis reactions of acyclic diene sulfides, disulfides, and dithianes and in self-cross metathesis reactions of ene-sulfides, thioethers, and thiols.
• BOSIES, E.;GALL, R.;WEIMANN, G.;BICKER, U.;PAHLKE, W.
  作者：BOSIES, E.、GALL, R.、WEIMANN, G.、BICKER, U.、PAHLKE, W.

  DOI：——

  日期：——
• Hasegawa, Junzo; Ogura, Masahiro; Tsuda, Satoru, Agricultural and Biological Chemistry, 1990, vol. 54, # 7, p. 1819 - 1827
  作者：Hasegawa, Junzo、Ogura, Masahiro、Tsuda, Satoru、Maemoto, Shun-ichi、Kutsuki, Hidetoshi、Ohashi, Takehisa

  DOI：——

  日期：——

表征谱图