Cas no 1793-10-8 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester)
1793-10-8 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester
- triisopentyl citrate
- tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate
- 1793-10-8
- EINECS 217-260-8
- DTXSID40170791
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester
- SCHEMBL723396
- NS00025902
- tris(3-methylbutyl) citrate
-
- Inchi： 1S/C21H38O7/c1-15(2)7-10-26-18(22)13-21(25,20(24)28-12-9-17(5)6)14-19(23)27-11-8-16(3)4/h15-17,25H,7-14H2,1-6H3
- InChI Key： ZGJMYWFCNCIEFN-UHFFFAOYSA-N
- SMILES： O(CCC(C)C)C(C(CC(=O)OCCC(C)C)(CC(=O)OCCC(C)C)O)=O
Computed Properties
- Exact Mass: 402.26184
- Monoisotopic Mass: 402.261754
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 17
- Complexity: 455
- 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
- Topological Polar Surface Area: 99.1
- XLogP3: 4
Experimental Properties
- Density: 1.047
- Boiling Point: 421.5°C at 760 mmHg
- Flash Point: 126.1°C
- Refractive Index: 1.463
- PSA: 99.13
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
1793-10-8 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester) Related Products
- 77-93-0(Triethyl citrate)
- 77-94-1(Tributyl citrate)
- 24817-92-3(trihexyl O-acetylcitrate)
- 82469-79-2(trihexyl O-butyrylcitrate)
- 1127-01-1(1-Hydroxycyclohexanecarboxylic Acid Ethyl Ester)
- 41248-23-1(Ethyl 1-hydroxycyclopentanecarboxylate)
- 144-15-0(Acetyl trioctyl citrate)
- 77-89-4(Triethyl O-Acetylcitrate)
- 1587-20-8(Trimethyl citrate)
- 77-90-7(Tributyl O-Acetylcitrate)
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