Cas no 93385-14-9 (TRIISOCETYL CITRATE)
TRIISOCETYL CITRATE structure
Product Name:TRIISOCETYL CITRATE
CAS No:93385-14-9
MF:C54H104O7
MW:865.39937877655
CID:999714
PubChem ID:9876029
Update Time:2025-04-20
TRIISOCETYL CITRATE Chemical and Physical Properties
Names and Identifiers
-
- TRIISOCETYL CITRATE
- tris(14-methylpentadecyl) 2-hydroxypropane-1,2,3-tricarboxylate
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triisohexadecyl ester
- SCHEMBL239649
- DTXSID901018285
- Q27251079
- AKOS040754259
- Triisohexadecyl citrate
- Citmol 316
- COXJMKGEQAWXNP-UHFFFAOYSA-N
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triisohexadecyl ester
- Jeechem TISC
- 0ZRR29B77H
- 93385-14-9
- UNII-0ZRR29B77H
-
- Inchi： 1S/C54H104O7/c1-48(2)40-34-28-22-16-10-7-13-19-25-31-37-43-59-51(55)46-54(58,53(57)61-45-39-33-27-21-15-9-12-18-24-30-36-42-50(5)6)47-52(56)60-44-38-32-26-20-14-8-11-17-23-29-35-41-49(3)4/h48-50,58H,7-47H2,1-6H3
- InChI Key： COXJMKGEQAWXNP-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)OCCCCCCCCCCCCCC(C)C)(CC(=O)OCCCCCCCCCCCCCC(C)C)O)=O)CCCCCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 864.77820565g/mol
- Monoisotopic Mass: 864.77820565g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 61
- Rotatable Bond Count: 50
- Complexity: 926
- 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: 21.4
- Topological Polar Surface Area: 99.1?2
TRIISOCETYL CITRATE Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
93385-14-9 (TRIISOCETYL CITRATE) 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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