CAS: 77-92-9; 2-Hydroxypropane-1,2,3-Tricarboxylic Acid

• 英文名称2-Hydroxypropane-1,2,3-Tricarboxylic Acid
• 中文名称柠檬酸
• IUPAC名称2-hydroxypropane-1,2,3-tricarboxylic acid
• 其它别名Citric acid anhydrous; 2-Hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid
• CAS编号77-92-9
• MFCD编号:MFCD00011669
• EINECS号:201-069-1
• 分子式:C6H8O7
• 分子量:192.12
• 产品CID: 1774540
• 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
• 产品信息参考
• InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
• InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)…
• 计算化学: 氢键受体数4.0氢键供体数4.0可旋转键数5.0

相似化合物

物理性质

• 熔点153-159°C
• 沸点248.08 °C at 760 mmHg
• 闪点100 °C
• 密度1.665 g/cm3
• pKa:2.93±0.28(预测)
• PSA:132.13
• LogP:-1.2485
• 折射率1.493~1.509
• 蒸汽压1.7X10-8 mm Hg at 25 °C (est)
• 溶解性在15°C时,柠檬酸还溶于无水(无水)乙醇(每100份乙醇中含有76份柠檬酸)。
• 敏感性Hygroscopic
• 外观形态白色
• 储存条件Store at room temperature
• 产品应用用于香料或作为饮料的酸化剂,在食品和医学上用作多价螯合剂,也是化学中间体.
• 性质描述白色半透明晶体或粉末.相对密度1.665(无水物).1.542(一水物),熔点153°C(无水物),折射率1.493-1.509,摩尔燃烧热(25°C):一水物1.952MJ/mol,无水物1.96MJ/mol.无气味,味酸,从冷的溶液中结晶出来的柠檬酸含有1分子水,在干燥空气中或加热至40-50°C成无水物.在潮湿空气中微有潮解性.75°C时变软,100°C时熔融,易溶于水和乙醇,溶于乙醚.可燃.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  皮肤腐蚀 类别1B
  生殖毒性 类别2
  水生慢性毒性 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H314 |造成严重皮肤灼伤和眼损伤.
  H361 |怀疑对生育能力或胎儿造成损害.
  H412 |对水生生物有害并具有长期持续影响.
• 防范说明P261-P264-P271-P280-P304+P340-P405-P501
• UN编号UN 1789 8/PG 3
• 危险品标志Xi
• 安全声明S24/25,S26,S36/37/39,S37/39,S39,S45
• 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 Citric Acid 主要起始原料 Ketipic Acid
• 77-92-9 = 77-92-9
  反应条件:1.1S:H2O,7 H,60°C1.2R:Cocl2,S:Etoh,3 H,Rt
  标题:A Pd/cu-Free Magnetic Cobalt Catalyst For C-N Cross Coupling Reactions: Synthesis Of Abemaciclib And Fedratinib
  作者:By Khorsandi,Zahra Et Al
  参考文献:Green Chemistry 日期:2021 卷标:23(14) 页码:5222-5229]
  
  50-99-7 = 77-92-9 + 111-02-4
  反应条件:1.1S:H2O,48 H,30°C
  标题:Genetic And Bioprocess Engineering To Improve Squalene Production In Yarrowia Lipolytica
  作者:By Liu,Huan Et Al
  参考文献:Bioresource Technology 日期:2020 卷标:317 页码:123991]
  
  50-99-7 = 77-92-9 + 50-21-5
  反应条件:1.1R:Cacl2,R:R:Nahco3,R:K2Hpo4,R:Nacl,R:Mgso4,R:Nah2Po4,S:H2O,12 H,37°C,Ph 7.0
  标题:Determination Of Metabolites Involved In Fermentative Succinic Acid Production From Glucose,Glycerol And Crude Glycerin By Hplc Methodology
  作者:By Jaramillo,L. Et Al
  参考文献:Revista Mexicana De Ingenieria Quimica 日期:2020 卷标:19(2) 页码:653-667]
  
  = 77-92-9 + 6915-15-7
  反应条件:1.1R:Nh4Cl,R:Disodium Carbonate,S:H2O,192 H,28°C,Ph 4.0
  标题:Valorization Of Crude Glycerol Into Citric Acid And Malic Acid By Yarrowia Lipolytica
  作者:By Qian,Xiujuan Et Al
  参考文献:Industrial & Engineering Chemistry Research 日期:2020 卷标:59(39) 页码:17165-17172]
  
  50-99-7 = 77-92-9
  反应条件:1.1S:H2O,96 H,30°C,Ph 5
  标题:Ph Selectively Regulates Citric Acid And Lipid Production In Yarrowia Lipolytica W29 During Nitrogen-Limited Growth On Glucose
  作者:By Zhang,Shuyan Et Al
  参考文献:Journal Of Biotechnology 日期:2019 卷标:290 页码:10-15]
  
  = 77-92-9
  反应条件:1.1S:H2O,12 D,31°C,Ph 1.7
  标题:Novel Method Of Citric Acid Production By Aspergillus Niger Ncim-715 Exposed To 6'-Hydroxy-7'-Ethoxybergamottin
  作者:By Kumar,Jai Prakash And Singh,S. P.
  参考文献:Journal Chemtracks 日期:2016 卷标:18(1) 页码:43-46]
  
  = 77-92-9 + 504-63-2 + 50-21-5
  反应条件:1.1R:K2Hpo4,R:(Nh4)2So4,R:Cacl2,R:R:R:Kh2Po4,R:Nicl2 6H2O,R:R:Zncl2,R:R:Feso4,R:R:Cucl2 2H2O,R:Kcl,R:Na2So4,R:Nh4Cl,S:H2O,15 Min,121°C,Ph 7
  标题:The Effect Of Crude Glycerol Impurities On 1,3-Propanediol Biosynthesis By Klebsiella Pneumoniae Dsmz 2026
  作者:By Laura,Mitrea Et Al
  参考文献:Renewable Energy 日期:2020 卷标:153 页码:1418-1427]
  
  = 77-92-9 + 6915-15-7 + 1177432-69-7 + 36507-30-9 + 885-23-4 + 578-95-0 + 106680-74-4
  反应条件:1.1R:Oxone,C:125825-47-0,C:25014-41-9,C:Poly-4-Vinylpyridine,S:H2O,Rt,Ph 7
  标题:High-Valent Iron-Oxo Complexes As Dominant Species To Eliminate Pharmaceuticals And Chloride-Containing Intermediates By The Activation Of Peroxymonosulfate Under Visible Irradiation
  作者:By Zhu,Zhexin Et Al
  参考文献:Catalysis Letters 日期:2020 卷标:150(5) 页码:1355-1367]
  
  25322-68-3 + 77-92-9 = 77-92-9
  反应条件:1.1S:Dmf,70°C; 4 H,100°C2.1R:Zn(Oac)2,R:Et3N,S:Dmf,8 H,120°C
  标题:Dynamic Ionic Crosslinking,Graft Polyethylene Glycol-Based Polymeric Phase Change Materials Networks With Ultrahigh Latent Heat Efficiency And Recycling Ability
  作者:By Lei,Yuan Et Al
  参考文献:Polymer 日期:2023 卷标:280 页码:126069]
  
  50-99-7 = 77-92-9
  反应条件:1.1R:O2,R:Naoh,S:H2O,28°C,Ph 5-6
  标题:Fine-Tuning Mitochondrial Activity In Yarrowia Lipolytica For Citrate Overproduction
  作者:By Da Veiga Moreira,Jorgelindo Et Al
  参考文献:Scientific Reports 日期:2021 卷标:11(1) 页码:878]
  
  9005-25-8 = 77-92-9
  反应条件:1.1R:O2,C:9032-08-0,S:H2O,35°C
  标题:Fine Regulation Of The Starch Liquefaction Process And Its Application In The Production Of Citric Acid
  作者:By Wang,Baoshi Et Al
  参考文献:International Journal Of Biological Macromolecules 日期:2020 卷标:164 页码:2092-2099]
  
  57-50-1 = 77-92-9 + 328-50-7
  反应条件:1.1R:Naoh,S:H2O,168 H,28°C,Ph 5.5
  标题:Significant Enhancement Of Citric Acid Production By Yarrowia Lipolytica Immobilized In Bacterial Cellulose-Based Carrier
  作者:By Zywicka,Anna Et Al
  参考文献:Journal Of Biotechnology 日期:2020 卷标:321 页码:13-22]
  
  50-99-7 = 77-92-9
  反应条件:1.1R:Koh,S:H2O,12 H,28°C,Ph 5-6; 192 H,28°C
  标题:Screening Various Yarrowia Lipolytica Strains For Citric Acid Production
  作者:By Carsanba,Erdem Et Al
  参考文献:Yeast 日期:2019 卷标:36(5) 页码:319-327]
  
  77-92-9 = 77-92-9
  反应条件:1.1R:Ti(Opr-I)4,R:Lino3,S:Etoh,Rt; 3 H,50°C; 3 H,50°C
  标题:Molecular Design Strategy For Ordered Mesoporous Stoichiometric Metal Oxide
  作者:By Wang,Changyao Et Al
  参考文献:Angewandte Chemie 日期:2019 卷标:58(44) 页码:15863-15868]
  
  77-92-9 = 77-92-9
  反应条件:1.1R:Sb
  标题:Use Of Spectral Methods For Studying The Structure Of Antimony(Iii) Complexes
  作者:By Kulikova,D. I.
  参考文献:Vestnik Kazanskogo Tekhnologicheskogo Universiteta 日期:2017 卷标:20(7) 页码:29-31]
  
  = 77-92-9 + 2152-56-9 + 328-50-7
  反应条件:1.1R:Cu2+,R:R:Nacl,S:H2O,168 H,Ph 6.5
  标题:Erythritol Production By Yarrowia Lipolytica Mutant Strain M53 Generated Through Atmospheric And Room Temperature Plasma Mutagenesis
  作者:By Liu,Xiaoyan Et Al
  参考文献:Food Science And Biotechnology 日期:2017 卷标:26(4) 页码:979-986]
  
  = 77-92-9
  反应条件:1.17 D,Ph 3
  标题:Aseptic Production Of Citric And Isocitric Acid From Crude Glycerol By Genetically Modified Yarrowia Lipolytica
  作者:By Rzechonek,Dorota A. Et Al
  参考文献:Bioresource Technology 日期:2019 卷标:271 页码:340-344]
  
  50-99-7 = 77-92-9
  反应条件:1.1S:H2O,72 H,Rt
  标题:Continuous Citric Acid Production In Repeated-Fed Batch Fermentation By Aspergillus Niger Immobilized On A New Porous Foam
  作者:By Yu,Bin Et Al
  参考文献:Journal Of Biotechnology 日期:2018 卷标:276-277 页码:1-9]
  
  57-50-1 = 77-92-9
  反应条件:1.1R:H2So4,R:O2,S:H2O,0.5 H,Reflux; Cooled1.2S:H2O,12 H,Rt,Neutralized1.3S:H2O,6 D,303K,Ph 6.5
  标题:Optimization Studies On Biosynthesis Of Citric Acid By One-Factor-At-A-Time
  作者:By Kola,Anand Kishore Et Al
  参考文献:Chemistry & Chemical Technology 日期:2018 卷标:12(4) 页码:511-518]
  
  77-92-9 = 77-92-9
  反应条件:1.1R:Ce(So4)2,295.15K1.2R:Naoh,S:H2O
  标题:Relative Kinetic Stability Of Cerium(Iv) Complexes With Some Organic Compounds Of The Aliphatic Series
  作者:By Voskresenskaya,O. O. And Skorik,N. A.
  参考文献:Russian Journal Of General Chemistry 日期:2020 卷标:90(3) 页码:434-443]
  
  = 77-92-9 + 141-82-2 + 6915-15-7 + 923-42-2 + 99-14-9 + 1703-58-8
  反应条件:1.1 Solvents: Water
  标题:The Possible Role Of Hydrothermal Vents In Chemical Evolution: Succinic Acid Radiolysis And Thermolysis
  作者:Cruz-Castaneda,J.; Colin-Garcia,M.; Negron-Mendoza,A.
  参考文献:Aip Conference Proceedings 日期:2014 卷标:1607(1) 页码:104-110]
  
  = 77-92-9 + 2152-56-9 + 328-50-7
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 168 H,Ph 5.5,28 °C
  标题:Significant Enhancement Of Citric Acid Production By Yarrowia Lipolytica Immobilized In Bacterial Cellulose-Based Carrier
  作者:Zywicka,Anna; Junka,Adam; Ciecholewska-Jusko,Daria; Migdal,Pawel; Czajkowska,Joanna; Et Al
  参考文献:Journal Of Biotechnology 日期:2020 卷标:321 页码:13-22

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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