二乙醇单异丙醇胺 | 6712-98-7

• 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 - 有机氮化合物
• 中文名称: 二乙醇单异丙醇胺
• 中文别名: 1-[N,N-二(2-羟乙基)氨基]丙-2-醇；1-[双(2-羟乙基)氨基]-2-丙醇；1-[N,N-双(2-羟乙基)氨基]-2-丙醇；1-[N,N-双(2-羟乙基)氨基]丙-2-醇
• 英文名称: 1-[N,N-bis(2-hydroxyethyl)amino]-2-propanol
• 英文别名: diethanolisopropanolamine；diethanol monoisopropanolamine；DEIPA；2-Propanol, 1-[bis(2-hydroxyethyl)amino]-；1-[bis(2-hydroxyethyl)amino]propan-2-ol
• CAS: 6712-98-7
• 化学式: C₇H₁₇NO₃
• 分子量: 163.217
• InChiKey: ZFECCYLNALETDE-UHFFFAOYSA-N

物化性质

• 熔点：
  31.5-36 °C(lit.)
• 沸点：
  145 °C0.6 mm Hg(lit.)
• 密度：
  1.079 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• LogP：
  -1.01 at 21.2℃
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  63.9
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• 危险品运输编号：
  NONH for all modes of transport
• 海关编码：
  2922199090
• 储存条件：
  存储在惰性气体中，室温条件下。

SDS

Name:	1-N N-Bis(2-Hydroxyethyl)amino)-2-Propanol 94% Material Safety Data Sheet
Synonym:	N,N-Bis(2-Hydroxyethyl)Isopropanolamine
CAS:	6712-98-7

Section 1 - Chemical Product MSDS Name:1-N N-Bis(2-Hydroxyethyl)amino)-2-Propanol 94% Material Safety Data Sheet
Synonym:N,N-Bis(2-Hydroxyethyl)Isopropanolamine

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6712-98-7	1-N,N-Bis(2-Hydroxyethyl)amino)-2-Prop	94%	229-764-5

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

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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 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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. 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. Use with adequate ventilation. 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6712-98-7: 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 minimize contact with skin.
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: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 145 deg C @ .60mm Hg
Freezing/Melting Point: 31.50 - 36.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0790g/cm3
Molecular Formula: C7H17NO3
Molecular Weight: 163.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6712-98-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-N,N-Bis(2-Hydroxyethyl)amino)-2-Propanol - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6712-98-7: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6712-98-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6712-98-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质

二乙醇单异丙醇胺是一种重要基础性化工原料，其分子结构中含有醇和胺官能团，同时兼具这两种物质的化学特性。因此，在许多合成应用中展现出极为有用的协调作用。它能够与酸反应生成酯，并且与酞卤反应生成酞胺基化合物。

用途

中国水泥产量巨大，每年全国规模以上水泥企业水泥产量达到亿吨级别，约占全球总产量的60%。二乙醇单异丙醇胺作为水泥助磨剂具有增强作用，可以减少熟料用量并降低煤电消耗。在掺入适量该物质后，水泥土的前、中、后期无侧限抗压强度均有所提升。随着其掺量增加，对水泥土的强度提升效果先是上升而后下降，但整体上仍高于基准组。当掺量为0.04%时，实验组表现出显著优势，在7天、28天和90天时，强度分别提升了27.7%、43.8%和34.3%，均明显高于基准组。二乙醇单异丙醇胺能够有效提高水泥土的前、中期及后期无侧限抗压强度，并且是一种优秀的水泥土外加剂，在7天、28天和90天时，其强度分别提升了27.7%、43.8%和34.3%，最佳掺量为18%时提升效果最为显著。

反应信息

• 作为反应物：
  描述：

  二乙醇单异丙醇胺 在 苯基三氯硅烷 作用下， 以 氯仿 为溶剂， 以73.8%的产率得到1-Chloro-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
  参考文献：
  名称：

  Voronkov; Baryshok; Kuznetsova, Russian Journal of General Chemistry, 1996, vol. 66, # 12, p. 1889 - 1894

  摘要：

  DOI：
• 作为产物：
  描述：

  二乙醇胺 、 methyloxirane 在 氨 作用下， 50.0~90.0 ℃ 、300.01 kPa 条件下， 生成 二乙醇单异丙醇胺
  参考文献：
  名称：

  一种生产二乙醇单异丙醇胺的方法

  摘要：

  本发明公开了一种生产低色度二乙醇单异丙醇胺的方法，它包括以下步骤：S1.反应容器中加入二乙醇胺和氨，搅拌均匀后，升温至40～60℃；S2.往反应容器中连续加入环氧丙烷，控制反应温度和压力，待反应完全后得到低色度二乙醇单异丙醇胺。环氧丙烷中的醛含量偏高时会导致二乙醇单异丙醇胺的色度偏高，在二乙醇胺中加入氨，使环氧丙烷中的甲醛、乙醛、丙醛等醛优先与氨反应，避免了生色物的形成，因此，本发明的制备方法可用于醛含量超标的环氧丙烷生产低色度的二乙醇单异丙醇胺；本发明的制备方法操作简单、制备方便、成本低、能有效降低了二乙醇单异丙醇胺的色度，适于工业化大规模生产。

  公开号：

  CN106083617B
• 作为试剂：
  描述：

  ethyl 2,4-dihydroxy-6-methylnicotinate 在 二乙醇单异丙醇胺 、 三氯氧磷 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 20.0h， 以55%的产率得到2,4-二氯-6-甲基吡啶-3-甲酸乙酯
  参考文献：
  名称：

  SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH

  摘要：

  本发明涉及一种具有以下式I的化合物 其中R 1 至R 6 ，A，B，n和m如本文所定义。这种新型磺酰胺衍生物在治疗哺乳动物（如癌症）中的异常细胞生长方面是有用的。本发明还涉及一种在治疗哺乳动物（尤其是人类）中的异常细胞生长中使用这种化合物的方法，以及含有这种化合物的药物组合物。

  公开号：

  US20090054395A1

文献信息

• COMPOSITIONS AND METHODS FOR REDUCTION OF KETONES, ALDEHYDES AND IMINIUMS, AND PRODUCTS PRODUCED THEREBY
  申请人：Adler Marc J.

  公开号：US20170362151A1

  公开（公告）日：2017-12-21

  A method of producing an alcohol, comprises reducing an aldehyde or a ketone with a hydridosilatrane. The reducing is carried out with an activator.

  生产醇的方法包括使用氢硅氮烷还原醛或酮。还原过程中需要使用活化剂。
• Beneficiated water reducing compositions
  申请人：Chun Byong-wa

  公开号：US20050096280A1

  公开（公告）日：2005-05-05

  Exemplary compositions comprise at least one aldopentonic acid, such as xylonic acid; and further comprise a lignin, a lignosulfonic acid or its salt, an additional sugar acid such as a aldohexonic acid or salt, a conventional admixture (such as a polyacrylate superplasticizer, a corrosion inhibitor, a set retard, a set accelerator, etc.), or a mixture thereof. Exemplary methods for obtaining microbiologically or enzymatically converted sugar acids are also described herein.

  优秀的组合物包括至少一种醛戊糖酸，如木糖酸；并且还包括木质素、木质素磺酸或其盐、额外的糖酸，如醛己糖酸或盐、传统的混合物（如聚丙烯酸酯高效减水剂、缓蚀剂、凝结缓慢剂、凝结加速剂等）或其混合物。本文还描述了获取微生物或酶转化的糖酸的示例方法。
• Crystal and molecular structures of Si -(iodomethyl)silatranes with methyl substituents in β-position relative to the nitrogen atom
  作者：Vladimir I. Smirnov、Eleonora A. Zelbst、Galina A. Kuznetzova、Irina V. Sterkhova

  DOI：10.1016/j.mencom.2018.05.016

  日期：2018.5

  Crystal and molecular structures of two silatranes, 1-iodomethyl-3-methyl- and 1-iodomethyl-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecanes, were determined by X-ray analysis. Comparison of their structural and geometrical characteristics with those of other silatranes shows that the presence of methyl substituents β-positioned to nitrogen atoms increases the length of the dative

  两种硅烷，1-碘甲基-3-甲基-和1-碘甲基-3,7,10-三甲基-2,8,9-三恶唑-5-氮杂-1-硅双环[3.3.3]十一烷的晶体和分子结构通过X射线分析确定。将它们的结构和几何特征与其他硅杂环戊烷的结构和几何特征进行比较表明，位于氮原子上的β-甲基取代基的存在增加了Si←N键的长度，而将碘引入硅氮烷的轴向位置略有减少Si←N键的长度。
• Molecular Crystal of (4-(1,8-Naphthyridin-2-YL)Piperidin-1-YL)Pyrimidine Derivative
  申请人：Phillips Eric

  公开号：US20110237605A1

  公开（公告）日：2011-09-29

  A molecular crystal form of (S)-3-(2,5-dimethyl-6-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin- 1 -yl)pyrimidin-4-ylamino)-2-(4-methoxyphenylsulfonamido)propanoic acid is characterized by an X-ray powder diffraction (“XRPD”) spectrum that comprises peaks at 2θ angles of 7.44, 14.80, 16.64, and 23.04±0.2°. The molecular crystal can be formulated into pharmaceutical composition for treating or controlling diseases resulting from pathological angiogenesis.

  (S)-3-(2,5-二甲基-6-(4-(5,6,7,8-四氢-1,8-萘啶基-2-基)哌啶-1-基)嘧啶-4-基氨基)-2-(4-甲氧基苯磺酰胺基)丙酸的分子晶体形式，其具有X射线粉末衍射（“XRPD”）谱，包括2θ角度为7.44、14.80、16.64和23.04±0.2°的峰。该分子晶体可以制成药物组合物，用于治疗或控制由病理性血管生成导致的疾病。
• Complexes Comprising alpha2-Adrenergic Receptor Agonists and Compositions
  申请人：McIntire Gregory L.

  公开号：US20080293728A1

  公开（公告）日：2008-11-27

  A complex comprises at least an α 2 -adrenergic receptor agonist and a compound that provides an opposite charge to a charge on the α 2 -adrenergic receptor agonist, wherein the complex is charge neutral as a whole and has a solubility in a range from about 0.3 μg/ml to about 2.5 mg/ml in water at pH of about 7 and temperature of about 25° C. The complex is included in a composition, device, or implant for use in the neuroprotection of components of a neurological tissue to prevent progressive degeneration of such components. In particular, such a composition, device, or implant can be used to provide neuroprotection to cells and components of the optic nerve system.

  一个复合物至少包含一个α2肾上腺素受体激动剂和一个提供与α2肾上腺素受体激动剂相反电荷的化合物，其中整体上复合物是电中性的，在pH约为7和温度约为25°C的水中的溶解度在约0.3μg/ml至约2.5mg/ml的范围内。该复合物包含在一种组合物、设备或植入物中，用于在神经组织的组分中进行神经保护，以防止这些组分的逐渐退化。特别是，这样的组合物、设备或植入物可用于为视神经系统的细胞和组分提供神经保护。

表征谱图