67-43-6

• 常用中文名：二乙烯三胺五乙酸
• 常用英文名：Diethylenetriaminepentaacetic acid
• CAS号：67-43-6
• 分子式：C₁₄H₂₃N₃O₁₀
• 分子量：393.346
• 相关类别： 原料药 专科用药 解毒药
• 发布时间：2018-09-25 15:45:09
• 更新时间：2024-01-02 12:13:19
• 戊二酸是一种用于构建磁性吸附剂的化合物,可以同时去除复杂废水中的重金属和染料[1]。

名称

• 中文名: 二乙烯三胺五醋酸
• 英文名: pentetic acid
• 中文别名: 二亚乙基三胺五乙酸; 二乙烯三胺五乙酸; 二乙撑三胺五乙酸
• 英文别名: 9-Propylamino-phenanthren; DTPA; N,N-Bis{2-[bis(carboxymethyl)amino]ethyl}glycine; Pentacarboxymethyl Diethylenetriamine; 9-Phenanthrenamine,N-propyl; N,N-bis[2-[bis(carboxymethyl)-amino]ethyl]glycine; N,N,N',N'',N''-diethylenetriaminepentaacetic acid; Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-; Diethylenetriaminepentaacetic acid; diethylenetrinitrilopentaacetic acid; diethylenetriamine-N,N,N',N'',N''-pentaacetic acid; Pentetic acid; [9]phenanthryl-propyl-amine; Clewat DA; 2,2',2'',2''',2''''-(1,2-Ethanediylnitrilo)pentaacetic acid; diethylenetriamine pentaacetic acid; [9]Phenanthryl-propyl-amin; EINECS 200-652-8; N-n-propyl-9-phenanthrenamine; MFCD00004289

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 721.1±60.0 °C at 760 mmHg
• 熔点: 219-220 °C(lit.)
• 分子式: C₁₄H₂₃N₃O₁₀
• 分子量: 393.346
• 闪点: 389.9±32.9 °C
• 精确质量: 393.138336
• PSA: 196.22000
• LogP: 0.05
• 外观性状: 固体
• 蒸汽压: 0.0±5.0 mmHg at 25°C
• 折射率: 1.590
• 储存条件:

  本品应密封于阴凉干燥处避光保存。

• 稳定性:

  二亚乙基三胺五乙酸(DTPA)是一种重要的氨基螯合剂，它对金属离子尤其是高价态显色金属离子的螯合能力特别强，因而在清洗行业有着重要的应用。

• 水溶解性: 5 g/L (20 ºC)
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：85.89

  2、 摩尔体积（cm³/mol）：254.5

  3、 等张比容（90.2K）：775.1

  4、 表面张力（dyne/cm）：86.0

  5、 极化率（10^-24cm³）：34.05

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-8.5

  2.氢键供体数量:5

  3.氢键受体数量:13

  4.可旋转化学键数量:16

  5.互变异构体数量:无

  6.拓扑分子极性表面积196

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:481

  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:0

  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

• 更多:

  1. 性状：白色结晶或结晶状粉末

  2. 密度（g/mL,25/4℃）：1.56

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：230（分解）

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：200

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：溶于热水和碱溶液，微溶于冷水，不溶于醇醚等有机溶剂。

生物活性

• 描述: 戊二酸是一种用于构建磁性吸附剂的化合物,可以同时去除复杂废水中的重金属和染料[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Huang Y, et al. Enhanced selective adsorption of lead(II) from complex wastewater by DTPA functionalized chitosan-coated magnetic silica nanoparticles based on anion-synergism. J Hazard Mater. 2022;422:126856.

MSDS

Name: Diethylenetriaminepentaacetic acid 97% Material Safety Data Sheet Synonym: (Carboxymethylimino)bis(ethylenenitrilo)tetraacetic acid; Pentetic acid; DTP CAS: 67-43-6 Section 1 - Chemical Product MSDS Name:Diethylenetriaminepentaacetic acid 97% Material Safety Data Sheet Synonym:(Carboxymethylimino)bis(ethylenenitrilo)tetraacetic acid; Pentetic acid; DTP Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 67-43-6 Diethylenetriaminepentaacetic acid, 97 97% 200-652-8 Hazard Symbols: XI Risk Phrases: 36 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: May cause skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. Chronic: Not available. 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. Get medical aid if cough or other symptoms appear. Notes to Physician: 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. 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: Store in a cool, dry place. Store in a tightly closed container. 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# 67-43-6: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. Respirators: A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white to off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 220 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: 5 G/L (20C) Specific Gravity/Density: Molecular Formula: C14H23N3O10 Molecular Weight: 393.34 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. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 67-43-6: MB8205000 LD50/LC50: Not available. Carcinogenicity: Diethylenetriaminepentaacetic acid, 97% - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION 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: XI Risk Phrases: R 36 Irritating to eyes. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 39 Wear eye/face protection. WGK (Water Danger/Protection) CAS# 67-43-6: 1 Canada CAS# 67-43-6 is listed on Canada's DSL List. CAS# 67-43-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 67-43-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：大鼠腹腔LD50：587 mg/kg；小鼠腹腔LC50：543 mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : MB8205000 CHEMICAL NAME : Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)- CAS REGISTRY NUMBER : 67-43-6 BEILSTEIN REFERENCE NO. : 1810219 LAST UPDATED : 199710 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C14-H23-N3-O10 MOLECULAR WEIGHT : 393.40 WISWESSER LINE NOTATION : QV1N1VQ2N1VQ2N1VQ1VQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 587 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - aggression Lungs, Thorax, or Respiration - chronic pulmonary edema REFERENCE : TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 32,37,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 543 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 57,212,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3891 No. of Facilities: 735 (estimated) No. of Industries: 6 No. of Occupations: 9 No. of Employees: 2599 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3891 No. of Facilities: 1070 (estimated) No. of Industries: 9 No. of Occupations: 14 No. of Employees: 10918 (estimated) No. of Female Employees: 7008 (estimated)

安全

• 符号: GHS07, GHS08
• 信号词: Warning
• 危害声明: H319-H332-H361d
• 警示性声明: P281-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;N:Dangerousfortheenvironment;
• 风险声明 (欧洲): R36/37/38;R51/53
• 安全声明 (欧洲): S26-S36-S61-S37/39
• 危险品运输编码: UN 3077 9/PG 3
• WGK德国: 2
• RTECS号: MB8205000
• 危险类别: 9.0
• 海关编码: 29224995

合成路线

50-00-0 143-33-9 111-40-0 ~% 67-43-6

文献：Nature (London, United Kingdom), , vol. 178, p. 322

上下游产品

上游产品  3
50-00-0 143-33-9 111-40-0
下游产品  2
15827-60-8 23911-26-4

制备

1.由二乙三胺与一氯乙酸反应而得。将氯乙酸与氢氧化钠中和后，在低温下让氯化酸钠与二亚乙基三胺反应，生成的产物再经过净化处理最后得到产品DTPA。

2.二亚乙基三胺与氯乙酸缩合得二亚乙基三胺五乙酸。

3.将283.7kg一氯乙酸投入反应釜中，加220L蒸馏水搅拌溶解。于15℃滴加40%的NaOH 溶液，300kg，约1.5h加完。再在搅拌下滴加51.6kg二亚乙基三胺，滴加过程中把温度控制在２ ０℃左右。接着继续滴加120kgNaOH水溶液（40%） 。40℃反应10～12h。将反应液冷至5～10℃。搅拌下滴加260L浓盐酸，调ph值至1.6～1.7，放置过夜，滤出结晶，用400L冰水洗涤结晶，真空干
燥，得130kg左右的粗品。用蒸馏水脱色得纯品。反应式如下：

海关

海关编码	2916190090
中文概述	2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%