CAS: 84-66-2; Diethyl Phthalate

• 英文名称Diethyl Phthalate
• 中文名称邻苯二甲酸二乙酯
• IUPAC名称diethyl benzene-1,2-dicarboxylate
• 其它别名1,2-Benzenedicarboxylic acid diethyl ester
• CAS编号84-66-2
• MFCD编号:MFCD00009111
• EINECS号:201-550-6
• FDA UNII编号:UF064M00AF
• 分子式:C12H14O4
• 分子量:222.24
• 产品CID: 1836166
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;
• InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N
• InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3…
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数6.0

物理性质

• 熔点-40.5 °C
• 沸点293.999 °C at 760 mmHg
• 闪点110°C
• 密度1.1±0.1 g/cm3
• PH:7-8 (20°C in H2O)
• PSA:52.6
• LogP:2.7
• 折射率1.508
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Practically Insoluble In Water, Miscible With Ethanol (96 Per Cent).
• 敏感性1.与乙醇、乙醚、丙酮、苯有机溶剂混溶，不溶于水。对氯化橡胶、松香、硝酸纤维素、松香酸苄酯、香豆酮树脂、甘油三松香酸酯、聚苯乙烯、聚甲基丙烯酸甲酯、聚乙酸乙烯酯、乙基纤维素、氯乙烯乙酸乙烯酯共聚物等都有很好的溶解能力。但醋酸纤维素不大溶解。可燃。着火时用泡沫灭火剂、二氧化碳或四氯化碳等灭火。2.化学性质：邻苯二甲酸二乙酯在二氧化碳气氛中煮沸8小时，分解成乙烯、乙醇、邻苯二甲酸酐、苯二甲酸一乙酯等。常温下与水一起放置时没有反应，在250~325°C、10MPa时生成邻甲基苯甲酸、邻苯二甲酸及少量苯甲酸、甲烷、二氧化碳等。在氢氧化钠醇溶液中，25°C进行水解时，5分钟有10%，25分钟有30%，4小时有60%发生水解。3.邻苯二甲酸二乙酯与氨的甲醇溶液反应生成邻苯二甲酰胺。在沸腾的醇中与尿素和乙醇钠反应生成邻苯二甲酰亚胺。与苯基溴化镁反应生成10,10-二苯基蒽酮。与乙二醇一起在真空中加热时，190°C以上开始反应，300°C生成邻苯二甲酸乙二醇酯的聚合物。4.邻苯二甲酸二乙酯与金属盐形成结晶性的分子化合物。例如与四氯化锡形成熔点为104°C的晶体，该晶体容易水解。5. 存在于烤烟烟叶、白肋烟烟叶、烟气中。6. 刺激黏膜，高浓度时引起麻醉。
• 外观形态APHA: ≤15液体
• 储存条件2-8°C
• 产品应用用于醋酸纤维素时,常于邻苯二甲酸二甲酯并用,以提高制品的耐水性,弹性,并赋予适宜强度.用于硝酸纤维素,制品可获得优良的耐光性和强韧性,而且无臭味.可提高聚醋酸乙烯的粘合力.由于本品无毒,可用作食品包装无毒粘合剂的增塑剂,还可用作醇酸树酯,丁睛橡胶,氯丁橡胶的增塑剂,以及用作香料的溶剂等.
• 性质描述无色透明油状液体,微具芳香味,沸点298°C,闪点(开杯)153°C,折射率(nD25)1.499,粘度(20°C)13mpa.S.蒸气压(163°C)1.867kpa.与乙醇乙醚混溶,溶于丙酮,苯等有机溶剂,不溶于水.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
  特定目标器官毒性-重复接触 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  急性毒性 类别3(吸入)
  生殖毒性 类别2
  急性毒性 类别4(吸入)
  水生慢性毒性 类别3
  急性毒性 类别4(经口)
  水生慢性毒性 类别1
  皮肤致敏 类别1
  急性毒性 类别1(经皮)
  急性毒性 类别1(吸入)
  急性毒性 类别1(经口)
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H373 |长期或反复接触可能损害器官.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H331 |吸入会中毒.
  H361 |怀疑对生育能力或胎儿造成损害.
  H332 |吸入有害.
  H412 |对水生生物有害并具有长期持续影响.
  H302 |吞咽有害.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H336 |可能引起嗜睡或头晕.
  H317 |可能引起皮肤过敏反应.
  H312 |皮肤接触有害.
• 防范说明P261-P264-P271-P273-P280-P304+P340-P391-P405-P501
• 危险等级9
• UN编号3082.0
• 危险品标志N
• 包装等级Ⅲ
• 安全声明24/25
• 危险类别码Diethyl phthalate is a colorless liquid that has a bitter, disagreeable taste. This synthetic substance is commonly used to make plastics more flexible. Products in which it is found include toothbrushes, automobile parts, tools, toys, and food packaging. Diethyl phthalate can be released fairly easily from these products, as it is not part of the chain of chemicals (polymers) that makes up the plastic. Diethyl phthalate is also used in cosmetics, insecticides, and aspirin. | The heated compound is an irritant to the eyes and respiratory tract; [ACGIH] Allergic contact dermatitis reported; [Kanerva, p. 1782] In high-dose reproductive studies of rats and mice, DEHP and other phthalates cause testicular damage to males and increased fetal losses and malformations to pregnant females. [Frazier, p. 350-2] Low toxicity both acute and chronic, but could cause CNS depression if large dose absorbed; [HSDB]
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Diethyl Phthalate 主要起始原料 Phthalic Anhydride And Ethanol
• 1829-28-3 = 84-66-2
  反应条件:1.1 Catalysts: Palladium,Bis(Acetonitrile)Dichloro-,1-[1-[(4S)-4,5-Dihydro-4-(1-Methylethyl)-2-Oxazolyl]-1-Methylethyl]-1,3-Dihydro-... Solvents: Ethanol; 15 Min,60 °C1.2 Reagents: Triethylamine Solvents: Ethanol; 24 H,60 °C
  标题:Alkoxycarbonylation Of Aryl Iodides Catalyzed By Pd With A Thiourea Type Ligand Under Balloon Pressure Of Co
  作者:Liu,Jing; Liang,Bo; Shu,Dongxu; Hu,Yanhe; Yang,Zhen; Et Al
  参考文献:Tetrahedron 日期:2008 卷标:64(40) 页码:9581-9584]
  
  = 84-66-2
  反应条件:1.1 Catalysts: Chromate(2-),Triaqua-μ3-Oxotris[μ-[2-Sulfo-1,4-Benzenedicarboxylato(3-)-Ko1:Ko′... (Reaction Products With Butanamine); 5 H,Reflux
  标题:Synthesis And Characterization Of Butylamine-Functionalized Cr(Iii)-Mof-So3H: Synergistic Effect Of The Hydrophobic Moiety On Cr(Iii)-Mof-So3H In Esterification Reactions
  作者:Alavijeh,Masoumeh Karimi; Amini,Mostafa M.
  参考文献:Polyhedron 日期:2019 卷标:173]
  
  1041479-60-0 = 84-66-2
  反应条件:1.1 Reagents: Desyl Chloride Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Ethanol; 24 H,60 °C
  标题:Palladium-Catalyzed Oxidative Carbonylation Of Alkyl And Aryl Indium Reagents With Co Under Mild Conditions
  作者:Zhao,Yingsheng; Jin,Liqun; Li,Peng; Lei,Aiwen
  参考文献:Journal Of The American Chemical Society 日期:2008 卷标:130(29) 页码:9429-9433]
  
  762-21-0 = 84-66-2
  反应条件:1.1 20 Min
  标题:Synthesis Of Substituted Furans And Substituted Benzenes Via Microwave Enhanced Diels-Alder Reactions
  作者:Hijji,Yousef M.; Wanene,Joseph; Obot,Emmanuel; Fuller,Jenora
  参考文献:International Electronic Conferences On Synthetic Organic Chemistry 日期:2004 卷标:1977 页码:1977-1981]
  
  = 84-66-2
  反应条件:1.1 Catalysts: Graphene (Oxide,Sulfonated) Solvents: Ethanol; 3 H,Reflux
  标题:Sulfonated Graphene As Highly Efficient And Reusable Acid Carbocatalyst For The Synthesis Of Ester Plasticizers
  作者:Garg,Bhaskar; Bisht,Tanuja; Ling,Yong-Chien
  参考文献:Rsc Advances 日期:2014 卷标:4(100) 页码:57297-57307]
  
  1829-28-3 = 84-66-2
  反应条件:1.1 Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Ethanol; 24 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water
  标题:Base-Induced Mechanistic Variation In Palladium-Catalyzed Carbonylation Of Aryl Iodides
  作者:Hu,Yanhe; Liu,Jing; Lu,Zhixin; Luo,Xiancai; Zhang,Heng; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2010 卷标:132(9) 页码:3153-3158]
  
  762-21-0 = 84-66-2
  反应条件:1.1 Reagents: Acetamide Catalysts: P-Toluenesulfonic Acid Solvents: N-Methyl-2-Pyrrolidone; 24 H,120 °C
  标题:Unusual Coupling Reactions Of Aldehydes And Alkynes: A Novel Preparation Of Substituted Phthalic Acid Derivatives By Automated Synthesis
  作者:Von Wangelin,Axel Jacobi; Neumann,Helfried; Gordes,Dirk; Klaus,Stefan; Jiao,Haijun; Et Al
  参考文献:Chemistry - A European Journal 日期:2003 卷标:9(10) 页码:2273-2281]
  
  762-21-0 + 22919-28-4 = 84-66-2 [标题:Reaction Conditions
  标题:Synthesis Of 1,2-Disubstituted Benzenes And Biphenyls From Phthalic Acids Through Electroreduction Followed By Electrocyclic Reaction With Alkynes
  作者:Ohno,Toshinobu; Ozaki,Masato; Inagaki,Atsuro; Hirashima,Tsuneaki; Nishiguchi,Ikuzo
  参考文献:Tetrahedron Letters 日期:1993 卷标:34(16) 页码:2629-32]
  
  88-99-3 = 84-66-2
  反应条件:1.1 Catalysts: Poly(Oxy-1,2-Ethanediyl),α-[2-[1-(3-Sulfopropyl)-1H-Imidazolium-3-Yl]Ethyl]-ω-[... Solvents: Toluene; 1 H,80 °C; 80 °C -> Rt
  标题:Synthesis Of α,ω-Bis[(3-Sulfo Propyl)-1H-Imidazolium-1-Yl]Polyethylene Glycol Bis(Hydrogen Sulfate) And Determination Of Its Properties As Thermomorphic Ionic Liquid And Its Activity As Esterification Catalyst
  作者:Zhi,Hui-Zhen; Luo,Jun; Ma,Wei; Lu,Chun-Xu
  参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2008 卷标:29(4) 页码:772-774]
  
  88-99-3 + 78-39-7 = 84-66-2
  反应条件:1.1 Solvents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate; 2 H,80 °C
  标题:Efficient Esterification Of Carboxylic Acids And Phosphonic Acids With Trialkyl Orthoacetate In Ionic Liquid
  作者:Yoshino,Tomonori; Imori,Satomi; Togo,Hideo
  参考文献:Tetrahedron 日期:2006 卷标:62(6) 页码:1309-1317]
  
  = 84-66-2
  反应条件:1.1 Catalysts: 2H-Imidazolium,3-[2-[dimethyl(4-Sulfobutyl)Ammonio]Ethyl]-1-Methyl-,Sulfate (1... Solvents: Toluene; 3 H,120 °C
  标题:Functionalized Dicationic Ionic Liquids: Green And Efficient Alternatives For Catalysts In Phthalate Plasticizers Preparation
  作者:Zekri,Negar; Fareghi-Alamdari,Reza; Khodarahmi,Zahra
  参考文献:Journal Of Chemical Sciences (Berlin 日期:2016 卷标:128(8) 页码:1277-1284]
  
  = 84-66-2
  反应条件:1.1 Catalysts: Magnetite (Fe3O4),Silica,1H-Imidazolium,3-[2,2-Bis(Hydroxymethyl)-3-(1-Methyl-1H-Imidazolium-3-Yl)Propyl...; 8 H,78 °C
  标题:Diacidic Ionic Liquid Supported On Magnetic-Silica Nanocomposite: A Novel,Stable,And Reusable Catalyst For Selective Diester Production
  作者:Fareghi-Alamdari,Reza; Nadiri Niri,Mehri; Hazarkhani,Hassan; Zekri,Negar
  参考文献:Journal Of The Iranian Chemical Society 日期:2018 卷标:15(11) 页码:2615-2629]
  
  = 84-66-2
  反应条件:1.1 Catalysts: 1H-Benzimidazole,1-Ethyl-,Tetrafluoroborate(1-) (1:1) Solvents: 1H-Benzimidazole,1-Ethyl-,Tetrafluoroborate(1-) (1:1); 4 H,130 °C
  标题:Preparation And Characterization Of A Novel Benzimidazolium Bronsted Acid Ionic Liquid And Its Application In The Synthesis Of Acrylic Esters
  作者:Wang,Yuan-Yuan; Li,Wei; Xu,Cheng-Di; Dai,Li-Yi
  参考文献:Chinese Journal Of Chemistry 日期:2007 卷标:25(1) 页码:68-71]
  
  88-99-3 = 84-66-2
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Ethanol; 12 H,100 °C; 100 °C -> Rt1.2 Reagents: Sodium Carbonate Solvents: Water; Neutralized,Rt
  标题:Noncovalent Interactions In Ir-Catalyzed C-H Activation: L-Shaped Ligand For Para-Selective Borylation Of Aromatic Esters
  作者:Hoque,Emdadul Md; Bisht,Ranjana; Haldar,Chabush; Chattopadhyay,Buddhadeb
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(23) 页码:7745-7748]
  
  5048-50-0 = 84-66-2
  反应条件:1.1 Reagents: Sulfuric Acid Magnesium Salt (1:1),Oxygen Catalysts: Sodium 9,10-Anthraquinone-2-Sulfonate,Palladium Trifluoroacetate Solvents: Chlorobenzene; 24 H,1 Atm,110 °C
  标题:Palladium-Catalyzed Aerobic Oxidative Dehydrogenation Of Cyclohexenes To Substituted Arene Derivatives
  作者:Iosub,Andrei V.; Stahl,Shannon S.
  参考文献:Journal Of The American Chemical Society 日期:2015 卷标:137(10) 页码:3454-3457]
  
  88-99-3 = 84-66-2
  反应条件:1.1 4 H,Rt -> 120 °C
  标题:Unprecedented Alkylation Of Carboxylic Acids By Boron Trifluoride Etherate
  作者:Jumbam,Ndze D.; Maganga,Yamkela; Masamba,Wayiza; Mbunye,Nomthandazo I.; Mgoqi,Esethu; Et Al
  参考文献:Bulletin Of The Chemical Society Of Ethiopia 日期:2018 卷标:32(2) 页码:387-392]
  
  = 84-66-2
  反应条件:1.1 Catalysts: Chromate(5-),Triaquatris[μ-[4,8-Disulfo-2,6-Naphthalenedicarboxylato(4-)-Ko2:Ko... Solvents: Cyclohexane; 8 H,170 °C
  标题:Highly Efficient Catalytic Esterification In An -So3H-Functionalized Cr(Iii)-Mof
  作者:Dou,Yibo; Zhang,Heng; Zhou,Awu; Yang,Fan; Shu,Lun; Et Al
  参考文献:Industrial & Engineering Chemistry Research 日期:2018 卷标:57(25) 页码:8388-8395

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
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