Cas no 83966-24-9 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 2-(1-methylethyl) ester)
83966-24-9 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 2-(1-methylethyl) ester
CAS No:83966-24-9
MF:C9H14O7
MW:234.203263759613
CID:725996
PubChem ID:57483158
Update Time:2025-04-19
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 2-(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 2-(1-methylethyl) ester
- 2-hydroxy-4-methylpentane-1,2,3-tricarboxylic acid
- 2-isopropyl dihydrogen citrate
- 3-hydroxy-3-[(propan-2-yloxy)carbonyl]pentanedioic acid
- EINECS 281-490-5
- CHEBI:174197
- 3-hydroxy-3-(isopropoxycarbonyl)pentanedioic acid
- 1,2,3-Propanetricarboxylic acid,2-hydroxy-,2-(1-methylethyl)ester
- NCGC00256682-01
- CHEMBL3188218
- DSSTox_GSID_47140
- 83966-24-9
- NS00061149
- DSSTox_RID_82147
- 3-hydroxy-3-propan-2-yloxycarbonylpentanedioic acid
- Tox21_302479
- DTXSID00274148
- Q27279237
- SY351098
- DSSTox_CID_27140
- GR0934P0DP
- UNII-GR0934P0DP
- 2-Isopropyl citrate
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 2-(1-methylethyl) ester
-
- Inchi： 1S/C9H14O7/c1-5(2)16-8(14)9(15,3-6(10)11)4-7(12)13/h5,15H,3-4H2,1-2H3,(H,10,11)(H,12,13)
- InChI Key： VRBUFFFVTDWWMY-UHFFFAOYSA-N
- SMILES： O(C(C)C)C(C(CC(=O)O)(CC(=O)O)O)=O
Computed Properties
- Exact Mass: 234.07395278g/mol
- Monoisotopic Mass: 234.07395278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 121?2
Experimental Properties
- Density: 1.396
- Melting Point: 126-128°C
- Boiling Point: 432.8°C at 760 mmHg
- Flash Point: 170.7°C
- Refractive Index: 1.509
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 2-(1-methylethyl) ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
83966-24-9 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 2-(1-methylethyl) ester) Related Products
- 5949-29-1(Citric acid monohydrate)
- 6100-05-6(Potassium citrate monohydrate)
- 10402-15-0(Copper Citrate)
- 866-83-1(Potassium Citrate Monobasic)
- 77-92-9(Citric acid)
- 77-95-2(D(-)-Quinic Acid)
- 3012-65-5(Diammonium hydrogen citrate)
- 1123-28-0(1-Hydroxycyclohexanecarboxylic acid)
- 6205-14-7(Hydroxycitric Acid (Technical Grade))
- 7778-49-6(Potassium citrate)
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