3-苯基-1-丙烷硫醇 | 24734-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-苯基-1-丙烷硫醇
• 中文别名: 3-苯基丙硫醇
• 英文名称: 3-Phenylpropane-1-thiol
• CAS: 24734-68-7
• 化学式: C₉H₁₂S
• mdl: MFCD00004903
• 分子量: 152.26
• InChiKey: IUSDGVJFDZRIBR-UHFFFAOYSA-N

物化性质

• 沸点：
  234.76°C (estimate)
• 密度：
  1.0100

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090

SDS

Name:	3-Phenylpropyl mercaptan 97% (gc) Material Safety Data Sheet
Synonym:	3-Phenyl-1-propanethio
CAS:	24734-68-7

Section 1 - Chemical Product MSDS Name:3-Phenylpropyl mercaptan 97% (gc) Material Safety Data Sheet
Synonym:3-Phenyl-1-propanethio

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
24734-68-7	3-Phenylpropyl mercaptan, 99%	99%	246-440-9

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Combustible liquid.The toxicological properties of this material have not been fully investigated.Stench.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.

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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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with 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 if cough or other symptoms appear.
Notes to Physician:

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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. Will burn if involved in a fire.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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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.
Exposure Limits CAS# 24734-68-7: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: clear, colorless
Odor: Stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 109 deg C @ 10.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 90 deg C ( 194.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0100g/cm3
Molecular Formula: C9H12S
Molecular Weight: 152.25

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24734-68-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Phenylpropyl mercaptan, 99% - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 24734-68-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24734-68-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24734-68-7 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-苯基-1-丙烷硫醇 在 四氯化碳 、 cross-linked polymer (containing 2.50 mmol of phosphine/g) 作用下， 反应 2.0h， 以98%的产率得到1-氯-3-苯基丙烷
  参考文献：
  名称：

  Preparation of alkyl chlorides, acid chlorides, and amides using polymer-supported phosphines and carbon tetrachloride: mechanism of these reactions

  摘要：

  DOI：

  10.1021/jo00169a022
• 作为产物：
  描述：

  1-氯-3-苯基丙烷 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 反应 24.0h， 生成 3-苯基-1-丙烷硫醇
  参考文献：
  名称：

  α-重氮-β-氧代砜的对映选择性铜催化CH插入反应中的底物和催化剂效应

  摘要：

  爱尔兰研究委员会（项目编号 GOIPG/2013/1064 和 GOIPG/2013/225）；爱尔兰科学基金会（授权号 02/PICA/B802/EC07）

  DOI：

  10.1002/ejoc.201800077
• 作为试剂：
  描述：

  (3RS,4SR,5SR)-5-diphenylphosphinoyl-3,4-epoxy-4-methyldecan-2-one 在 正丁基锂 、 3-苯基-1-丙烷硫醇 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.67h， 以38%的产率得到1-(3-phenylpropylsulfanyl)propan-2-one
  参考文献：
  名称：

  Control over absolute (R,S), relative (syn,anti) and geometrical (E,Z) stereochemistry in the synthesis of allylically substituted alkenes from diphenylphosphinoyl epoxy alcohols

  摘要：

  Regioselective ring-openings of epoxy alcohols bearing a diphenylphosphinoyl (Ph(2)PO) group give diols which can undergo stereospecific Horner-Wittig elimination. This method was used to make allylic alcohols, unsaturated beta-hydroxy sulfides, homoallylic alcohols and unsaturated amino acids, with control over their absolute (R,S), relative (syn,anti) and geometrical(E,Z) stereochemistry.

  DOI：

  10.1039/p19950001913

文献信息

• FUSED HETEROCYCLIC COMPOUND
  申请人：ISHIKAWA Tomoyasu

  公开号：US20090233937A1

  公开（公告）日：2009-09-17

  The present invention provides a fused heterocyclic compound having a tyrosine kinase inhibitory action, which is represented by the formula: wherein ring A is an optionally substituted benzene ring; ring B is an optionally substituted benzoisothiazole ring; R 1 is a hydrogen atom, a halogen atom, or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom; R 2 is a hydrogen atom, or an optionally substituted group bonded via a carbon atom or a sulfur atom; R 3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group; or R 1 and R 2 , or R 2 and R 3 are optionally bonded to each other to form an optionally substituted ring structure; or R 3 is optionally bonded to the carbon atom on ring A to form an optionally substituted ring structure; or a salt thereof.

  本发明提供了一种具有酪氨酸激酶抑制作用的融合杂环化合物，其由以下式表示： 其中 环A是一个可选择取代的苯环； 环B是一个可选择取代的苯并异噻唑环； R1是氢原子、卤素原子或通过碳原子、氮原子或氧原子键合的可选择取代基团； R2是氢原子，或通过碳原子或硫原子键合的可选择取代基团； R3是氢原子或可选择取代的脂肪烃基团； 或 R1和R2，或R2和R3可选择键合在一起形成一个可选择取代的环结构； 或 R3可选择键合到环A上的碳原子上形成一个可选择取代的环结构； 或其盐。
• 5-Membered heterocyclic compound
  申请人：Nishida Haruyuki

  公开号：US20090156642A1

  公开（公告）日：2009-06-18

  The present invention provides 5-membered heterocycle compounds represented by the following general formula (I): The present compounds have a superior acid secretion inhibitory effect, and shows an antiulcer activity and the like.

  本发明提供了以下通式(I)表示的5元杂环化合物： 本化合物具有优异的抑制胃酸分泌效果，并显示出抗溃疡活性等。
• Two-step three-component process for one-pot synthesis of 8-alkylmercaptocaffeine derivatives
  作者：M. N. Soltani Rad、S. Maghsoudi

  DOI：10.1039/c6ra17814f

  日期：——

  A highly efficient, odourless and two-step three-component process for one-pot synthesis of some 8-alkylmercaptocaffeine derivatives has been described. The catalyst-free three-component reaction of alkyl bromides, thiourea, and 8-bromocaffeine gave 8-alkylmercaptocaffeine products in excellent to quantitative yields. In addition, the impact of parameters on sample reaction is discussed.

  已经描述了一种高效，无味，两步三组分法，用于一锅合成一些8-烷基巯基咖啡因衍生物。烷基溴，硫脲和8-溴咖啡因的无催化剂三组分反应以优异的定量收率得到了8-烷基巯基咖啡因产物。此外，还讨论了参数对样品反应的影响。
• Inhibitors of c-Jun N-terminal kinases
  申请人：Liu Gang

  公开号：US20060173050A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds that are inhibitors of c-jun N-terminal kinase 1, 2, or 3 (JNK1, JNK2, or JNK3), compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by the activation of JNK1, JNK2 and JNK3.

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。
• Oxidation of thiols to disulfides with molecular bromine on hydrated silica gel support
  作者：Mohammed Hashmat Ali、Mario McDermott

  DOI：10.1016/s0040-4039(02)01220-0

  日期：2002.8

  Results of oxidation of thiols to disulfides with molecular bromine on silica gel solid support are reported. The procedure utilizes organic media and does not require a base to neutralize HBr by-products to suppress acid promoted side reactions. Utilization of silica gel support simplifies work up and product isolation.

  报道了在硅胶固体载体上用分子溴将硫醇氧化为二硫化物的结果。该方法利用有机介质，不需要碱来中和HBr副产物以抑制酸促进的副反应。硅胶载体的使用简化了后处理和产品分离。

表征谱图