三季戊四醇 | 78-24-0

• 物质功能分类: 化学试剂 - 有机试剂 - 脂肪醇
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 三季戊四醇
• 中文别名: 三季戊醇；2,2-双[[3-羟基-2,2-双(羟甲基)丙氧基]-甲基]-1,3-丙二醇；三聚季戊四醇；三聚季戊醇
• 英文名称: tripentaerythritol
• 英文别名: 2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
• CAS: 78-24-0
• 化学式: C₁₅H₃₂O₁₀
• mdl: MFCD09999905
• 分子量: 372.413
• InChiKey: PTJWCLYPVFJWMP-UHFFFAOYSA-N

物化性质

• 熔点：
  225 °C (dec.) (lit.)
• 沸点：
  421.87°C (rough estimate)
• 密度：
  1.2442 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  25
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  10

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• 储存条件：
  密封贮藏，存放在阴凉干燥的地方。

SDS

Name:	Tripentaerythritol tech. Material Safety Data Sheet
Synonym:	None
CAS:	78-24-0

Section 1 - Chemical Product MSDS Name:Tripentaerythritol tech. Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
78-24-0	Tripentaerythritol, tech.	100.0	201-097-4

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).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.

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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. Wash clothing before reuse.
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.
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.

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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 water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 78-24-0: 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: Solid
Color: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 245 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H32O10
Molecular Weight: 372.40

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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:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 78-24-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tripentaerythritol, tech. - 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.
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# 78-24-0: No information available.
Canada
CAS# 78-24-0 is listed on Canada's DSL List.
CAS# 78-24-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 78-24-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

概述

单季戊四醇、双季戊四醇、三季戊醇（分别简称单季、双季、三季）是精细化工中间体，广泛应用于高级润滑油、聚氨酯、PVC热稳定剂、增塑剂、防火剂以及涂料、油墨等领域。特别是在高级航空润滑油、光敏涂料及油墨方面，双季、三季展现出季戊四醇无法比拟的优越性。目前世界上双季、三季生产厂家较少，产量低，国内市场一直供不应求，单季、双季、三季的价格比多年来维持在1∶4.5∶3.5。

应用

三季戊醇是一种重要的化工原料，广泛应用于松香酯、稳定剂材料、阻燃材料涂层、高级润滑油、黏合剂涂料、纺织品柔软剂、制冷剂和分散剂等领域。

制备

一种三季戊醇的制备方法包括缩合、精馏脱醛、蒸发结晶、离心、干燥等基本步骤。具体步骤如下：首先，将浓度为31%的甲醛50.4 m³、98%乙醛5.25 m³和2.88%液碱9.45 m³分别在高位槽中备料；其次，按16.8 m³/h的速度向缩合管式反应器投入浓度为31%的甲醛，并在甲醛投料后2分钟内以3.15 m³/h的速度向反应器加入液碱；随后，在液碱投料2分钟后，以1.75 m³/h的速度向反应器投入乙醛。当反应器温度达到45℃时，打开冷却水控制升温速率（1℃/5min），直至所有物料加完。将已完成的反应液转移至3个缩合釜中搅拌至反应完全，保温10分钟后用85%甲酸中和溶液调整pH值为6~6.5，并在温度达到60℃时，将含有三季戊醇共计75 m³的缩合液送入沉降槽。打开搅拌机，设定搅拌速度为15 r/min，通过循环水降温至25℃后保温2小时（降温速率为2℃/h）。保温24小时后，送入压滤器中过滤，确保滤饼中的水分含量小于20%。经过压榨处理后的湿料重约200公斤，进入转窑干燥器进行首次干燥，使水分含量降至5%，再在旋转干燥器中进一步干燥至滤饼的水分含量低于1%，最终得到成品三季戊醇140公斤。

反应信息

• 作为反应物：
  描述：

  三季戊四醇 在 盐酸 、 聚合甲醛 作用下， 生成 Tripentaerythrit-triformal
  参考文献：
  名称：

  Mixed esters of polyhydric alcohols

  摘要：

  公开号：

  US02441555A1
• 作为产物：
  描述：

  聚合甲醛 、 乙醛 在 sodium hydroxide 、 季戊四醇 、 水 作用下， 生成 三季戊四醇
  参考文献：
  名称：

  Manufacture of polypentaerythritols

  摘要：

  公开号：

  US02441597A1

文献信息

• Polynitramino compounds outperform PETN
  作者：Young-Hyuk Joo、Jean’ne M. Shreeve

  DOI：10.1039/b916909a

  日期：——

  New polynitramino compounds were synthesized and fully characterized using IR and multinuclear (1H, 13C, 15N) NMR spectroscopy, and elemental analysis as well as single-crystal X-ray diffraction.

  合成了新型多硝基胺化合物，并利用红外光谱、多核（1H、13C、15N）核磁共振波谱、元素分析以及单晶X射线衍射技术对其进行了全面表征。
• Effect of Arm Number and Length of Star-Shaped Glycopolymers on Binding to Dendritic and Langerhans Cell Lectins
  作者：Yamin Abdouni、Gokhan Yilmaz、Alessandra Monaco、Resat Aksakal、C. Remzi Becer

  DOI：10.1021/acs.biomac.0c00856

  日期：2020.9.14

  and selective binding ability. Therefore, in this study we aimed to understand how the complexity in the sense of the effect of number of arms and lengths in star-shaped glycopolymers affect the binding activity with different lectins. The Cu-mediated reversible deactivation radical polymerization (Cu-RDRP) technique was employed for the synthesis of mannose containing star-shaped glycopolymers with

  自然界中的许多细胞类型都被表面覆盖有糖壳的聚糖覆盖。基于合成糖聚合物的材料可以按照各种生物过程来模拟这些聚糖，例如细胞生长调节，粘附，细菌和病毒引起的炎症以及免疫反应。然而，要完全模仿以获得特异性和选择性结合能力，聚糖的复杂性仍然非常具有挑战性。因此，在这项研究中，我们旨在了解星形糖聚合物中臂数和长度的影响意义上的复杂性如何影响不同凝集素的结合活性。铜介导的可逆失活自由基聚合（Cu-RDRP）技术用于合成具有不同臂数和长度的含甘露糖的星形糖聚合物。1 H NMR，GPC和DLS。第一组糖聚合物（组S1）包含5个星形糖聚合物，每个大分子的臂数不同，但臂长相等，而在第二组5个糖聚合物（组S2）中，每个大分子的糖量保持不变恒定以获得具有相似糖价但结构不同的糖聚合物。随后评估了两种糖聚合物对树突状细胞和朗格汉斯细胞上存在的一系列新的和先前研究的C型甘露糖特异性凝集素的凝集素结合亲和力。简而言之，虽然具有相同臂长和不同分子量的Set
• Synthesis of Fucosylated Chondroitin Sulfate Glycoclusters: A Robust Route to New Anticoagulant Agents
  作者：Xiao Zhang、Wang Yao、Xiaojiang Xu、Huifang Sun、Jinhua Zhao、Xiangbao Meng、Mingyi Wu、Zhongjun Li

  DOI：10.1002/chem.201705177

  日期：2018.2.1

  has been hindered by the scarcity of structurally defined oligosaccharides. Herein, facile method is reported for the synthesis of the repeating trisaccharide unit of FuCS based on the degradation of chondroitin sulfate polymers. A series of simplified FuCS glycomimetics that have highly tunable structures, controllable branches, and defined sulfation motifs were generated by copper‐catalyzed alkyne–azide

  岩藻糖基化硫酸软骨素（FuCS）是结构独特的糖胺聚糖，具有出色的抗凝活性。研究表明，FuCS及其解聚的片段显示出与肝素衍生物不同的抗凝机制，同时降低了不良反应和出血的风险。然而，由于缺乏结构确定的寡糖而阻碍了进一步的开发。在此，报道了基于硫酸软骨素聚合物的降解来合成FuCS的重复三糖单元的简便方法。铜催化的炔-叠氮化物环加成反应生成了一系列简化的FuCS糖模拟物，这些模拟物具有高度可调的结构，可控的分支和明确的硫酸酯基序。随着分支的增加，活化的部分凝血活酶时间（APTT）测定活性得到显着改善，但凝血酶原时间（PT）和凝血酶时间（TT）测定活性未见明显影响。进一步的FXase抑制测试表明糖簇33 b – 40 b选择性抑制内在的抗凝活性，但对外部和常见的凝血途径几乎没有影响。值得注意的是，带有2,4-二-O-硫酸岩藻糖基残基的糖团显示出最大的效价，这与天然多糖的效价一致。这些FuCS簇显示出
• 抗氧化剂八[β-（3,5-二叔丁基-4-羟基苯基） 丙酸]三季戊四醇酯的合成方法
  申请人：中国科学院新疆理化技术研究所

  公开号：CN105294441B

  公开（公告）日：2017-09-15

  本发明涉及一种抗氧化剂八[β‑（3,5‑二叔丁基‑4‑羟基苯基）丙酸]三季戊四醇酯的合成方法，该方法将β‑（3,5‑二叔丁基‑4‑羟基苯基）丙烯酸甲酯与三季戊四醇发生酯交换反应，得到具有八个抗氧基团的固体抗氧化剂。本发明合成的抗氧化剂八[β‑（3,5‑二叔丁基‑4‑羟基苯基）丙酸]三季戊四醇酯，结构中嵌入大量的酚类抗氧化基团，具有良好的抗氧化作用外。同时，本发明合成的抗氧化剂八[β‑（3,5‑二叔丁基‑4‑羟基苯基）丙酸]三季戊四醇酯产品作为酯类化合物，具有较高的生物可降解性，更加符合绿色环保的要求。广泛应用于通用塑料、工程塑料、合成橡胶、涂料、油品等领域。
• 一种多巯基羧酸酯的制备方法
  申请人：黄河三角洲京博化工研究院有限公司

  公开号：CN106187842A

  公开（公告）日：2016-12-07

  本发明提供了一种多巯基羧酸酯的制备方法，包括：将巯基羧酸和多元醇在压强≤‑0.07MPa，温度80～100℃的条件下进行反应，得到多巯基羧酸酯。本发明在高温、负压的条件下，进行巯基羧酸和多元醇的酯化反应，无需使用带水剂，解决了使用带水剂带来的一系列问题，节省了带水剂损耗，提高了反应速率，同时提高了产品品质。

表征谱图