CAS: 97-65-4; 2-Methylenesuccinic Acid

• 英文名称2-Methylenesuccinic Acid
• 中文名称衣康酸
• IUPAC名称2-methylenesuccinic acid
• 其它别名Methylenesuccinic acid; Methylenebutanedioic acid
• CAS编号97-65-4
• MFCD编号:MFCD00004260
• EINECS号:202-599-6
• 分子式:C5H6O4
• 分子量:130.1
• 产品CID: 2022476
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• InChIKey: LVHBHZANLOWSRM-UHFFFAOYSA-N
• InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数3.0

相似化合物

物理性质

• 熔点165-168°C
• 沸点268 °C at 760 mmHg
• 闪点198.7±19.7 °C
• 密度1.4±0.1 g/cm3
• pKa:3.86±0.11(预测)
• PSA:74.6
• LogP:0.1019
• 折射率1.498
• 蒸汽压0.0±1.9 mmHg at 25°C
• 溶解性77.49g/l
• 敏感性1.避免与碱类、氧化剂接触。2.该产品毒性小，对健康危害不大，但其蒸气具有毒性。生产中设备应密闭，操作人员要穿戴防护用具。3.化学性质比较活泼，可以自身聚合，也可以与不同数目的其他单体如丙烯腈、苯乙烯等聚合。蒸气具有毒性，过热易分解。4. 存在于烟气中。
• 外观形态白色结晶粉末
• 储存条件2-8°C, sealed storage, away from moisture
• 产品应用用作乳胶,水溶性涂料,油溶性粘接剂,印刷油墨,合成树脂及丙烯酸纤维的改性剂等,也用于生化研究.
• 性质描述白色结晶.熔点167-168°C,相对密度1.6320.溶于水;乙醇;丙酮,微溶于氯仿;苯和乙醚.有特殊气味,在真空下能升华.易聚合,也能与其他单体共聚.不易挥发,过热能分解.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05;
  注释: Corrosion
• 危险类别严重眼刺激 类别2
  严重眼损伤 类别1
  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2(经皮)
  水生急性毒性 类别1
  水生慢性毒性 类别1
• 警示词Danger(危险)
• 危险描述H319 |造成严重眼刺激.
  H318 |造成严重眼损伤.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H310 |皮肤接触致命.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P273-P280-P501
• 危险等级8
• UN编号3261.0
• 危险品标志Xi:Irritant
• 包装等级Ⅲ
• 安全声明S26-S36
• 危险类别码R36/37/38
• WGK Germany1

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 Itaconic Acid 主要起始原料 Mesaconic Acid
• 617-52-7 = 97-65-4
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Tetrahydrofuran,Water; 18 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Acidified,Rt
  标题:A New Synthesis Of 3-(Bromomethyl)-2,5-Furandione
  作者:Arfaoui,A.; Ben Ayed,T.; Amri,H.
  参考文献:Journal De La Societe Chimique De Tunisie 日期:2008 卷标:10(1) 页码:1-6]
  
  475056-81-6 = 97-65-4
  反应条件:1.1 Reagents: Formic Acid,Hydroquinone,Sulfuric Acid; 3 H,100 °C
  标题:Redox Silencing Of The Fenton Reaction System By An Alkylitaconic Acid,Ceriporic Acid B Produced By A Selective Lignin-Degrading Fungus,Ceriporiopsis Subvermispora
  作者:Ohashi,Yasunori; Kan,Yoshihiko; Watanabe,Takahito; Honda,Yoichi; Watanabe,Takashi
  参考文献:Organic & Biomolecular Chemistry 日期:2007 卷标:5(5) 页码:840-847]
  
  600-33-9 + 97-65-4 = 97-65-4 + 600-33-9
  反应条件:1.1 Reagents: Sodium Hydroxide,Disodium Sulfide,C.I. Sulphur Blue 19 (Reduced,Reaction Products With Carboxy-Containing Compounds) Solvents: Water; Rt -> 140 °C; 10 H,140 °C; 140 °C -> Rt1.2 Reagents: Sodium Carbonate Solvents: Water; Rt -> 100 °C; 4 H,100 °C; 100 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Water-Soluble Carboxylic Acid-Type Sulfur Dye
  参考文献:China]
  
  9034-32-6 = 97-65-4
  反应条件:1.1 7 D,Ph 3,33 °C
  标题:Detoxification Process Of Microbial Inhibitors Formed From Acid Hydrolysis Of Lignocellulosic Biomass For Production Of Itaconic Acid
  参考文献:Brazil]
  
  77-92-9 = 97-65-4 [标题:Reaction Conditions
  标题:Unconventional Aliphatic Fluorophores Discovered As The Luminescence Origin In Citric Acid-Urea Carbon Dots
  作者:Yao,Xiaoxiao; Wang,Yinhan; Li,Fangjia; Dalluge,Joseph J.; Orr,Galya; Et Al
  参考文献:Nanoscale 日期:2022 卷标:14(26) 页码:9516-9525]
  
  20227-00-3 = 97-65-4
  反应条件:1.1 Catalysts: Nadp,Isocitrate Dehydrogenase
  标题:Photocontrol Of Itaconic Acid Synthesis In Escherichia Coli
  作者:Li,Yuting; Zhao,Ming; Wei,Dongzhi; Zhang,Jian; Ren,Yuhong
  参考文献:Acs Synthetic Biology 日期:2022 卷标:11(6) 页码:2080-2088]
  
  77-92-9 = 97-65-4
  反应条件:1.1 Reagents: Polyethylene Glycol Mono(Tert-Octylphenyl) Ether Catalysts: Aconitate Hydratase,Aconitate Decarboxylase Solvents: Water; Ph 6.5,35 °C
  标题:Cell Catalysis Of Citrate To Itaconate By Engineered Halomonas Bluephagenesis
  作者:Zhang,Jing; Jin,Biao; Hong,Kunqiang; Lv,You; Wang,Zhiwen; Et Al
  参考文献:Acs Synthetic Biology 日期:2021 卷标:10(11) 页码:3017-3027]
  
  50-99-7 = 97-65-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 48 H,Ph 6,30 °C
  标题:High Level Production Of Itaconic Acid At Low Ph By Ustilago Maydis With Fed-Batch Fermentation
  作者:Demir,Hatice Taspinar; Bezirci,Emine; Becker,Johanna; Tehrani,Hamed Hosseinpour; Nikerel,Emrah; Et Al
  参考文献:Bioprocess And Biosystems Engineering 日期:2021 卷标:44(4) 页码:749-758]
  
  97-65-4 = 97-65-4
  反应条件:1.1 Catalysts: Azobisisobutyronitrile Solvents: Dimethyl Sulfoxide; 24 H,70 °C
  标题:Highly Efficient Halogen-Free Flame Retardants Of Thermally-Oxidized Polyacrylonitrile Copolymers Containing Bio-Derived Caffeic Acid Derivatives
  作者:Kim,Jongho; You,Nam-Ho; Ku,Bon-Cheol
  参考文献:Polymer Chemistry 日期:2020 卷标:11(41) 页码:6658-6669]
  
  55601-65-5 = 97-65-4
  反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Water
  标题:Pyruvate Aldol Condensation Product: A Metabolite That Escaped Synthetic Preparation For Over A Century
  作者:Rios,Andro C.; Bera,Partha P.; Moreno,Jennifer A.; Cooper,George
  参考文献:Acs Omega 日期:2020 卷标:5(25) 页码:15063-15068]
  
  3377-31-9 = 97-65-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 4 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Enantioselective Semisynthesis Of Novel Cephalotaxine Esters With Potent Antineoplastic Activities Against Leukemia
  作者:Yang,Yujian; Yu,Qiuchun; Hu,Lean; Dai,Botao; Qi,Ruxi; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2022 卷标:244]
  
  77-92-9 = 97-65-4
  反应条件:1.1 Catalysts: Zirconium Dioxide Solvents: Water; Rt -> 180 °C; 5 H,180 °C
  标题:Method For Preparing Itaconic Acid From Citric Acid
  参考文献:China]
  
  7400-08-0 = 97-65-4
  反应条件:1.1 Catalysts: Aconitate Decarboxylase,Aconitate δ-Isomerase Solvents: Water; 72 H,Rt
  标题:Fermentative Production Of Itaconic Acid And Related Molecules From Aromatic Compounds
  参考文献:United States]
  
  77-92-9 = 97-65-4
  反应条件:1.1 Reagents: Water Solvents: Water
  标题:Itaconic Anhydride And Itaconic Acid
  作者:Shriner,R. L.; Ford,S. G.; Roll,L. J.
  参考文献:Organic Syntheses 日期:1931 卷标:11 页码:70-2]
  
  77-92-9 = 97-65-4 [标题:Reaction Conditions
  标题:Preparation Of Salvicine Derivatives As Antineoplastic Agents
  参考文献:China]
  
  = 97-65-4
  反应条件:1.1 Reagents: Trimethylamine Oxide; 36 H,Rt
  标题:Composition Comprising Mutual Symbiotic Microorganism Consortium For Producing Organic Acid At High Efficiency From Carbon Monoxide And Method Using Same
  参考文献:World Intellectual Property Organization]
  
  50-99-7 = 97-65-4
  反应条件:1.1 Reagents: Ammonium Nitrate,Sulfuric Acid Magnesium Salt (1:1) Catalysts: Copper Sulfate; 72 H,Ph 2.5
  标题:Bio-Synthesis Of Itaconic Acid As An Anti-Crease Finish For Cellulosic Fiber Fabric
  作者:Boondaeng,Antika; Suwanruji,Potjanart; Vaithanomsat,Pilanee; Apiwatanapiwat,Waraporn; Trakunjae,Chanaporn; Et Al
  参考文献:Rsc Advances 日期:2021 卷标:11(42) 页码:25943-25950]
  
  = 97-65-4
  反应条件:1.1 Solvents: Water; Ph 7,37 °C
  标题:Design Of Mutualistic Microbial Consortia For Stable Conversion Of Carbon Monoxide To Value-Added Chemicals
  作者:Cha,Sanghak; Lim,Hyun Gyu; Kwon,Seokmu; Kim,Dong-Hwan; Kang,Chae Won; Et Al
  参考文献:Metabolic Engineering 日期:2021 卷标:64 页码:146-153]
  
  = 97-65-4 [标题:Reaction Conditions
  标题:Co2-Negative Production Of Itaconate
  作者:Ullmann,L.; Blank,L. M.
  参考文献:Chemie Ingenieur Technik 日期:2020 卷标:92(9) 页码:1215-1216]
  
  55601-65-5 = 97-65-4
  反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Water; 30 Min,Rt
  标题:The Pyruvate Aldol Condensation Product: A Metabolite That Escaped Synthetic Preparation For Over A Century
  作者:Rios,Andro C.; Bera,Partha P.; Moreno,Jennifer A.; Cooper,George
  参考文献:Chemrxiv 日期:2020 页码:1-16

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905121000-正丙醇
  2905130000-正丁醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管