Cas no 85851-89-4 (1,2-Benzenedicarboxylicacid, hexyl isotridecyl ester (9CI))
85851-89-4 structure
Product Name:1,2-Benzenedicarboxylicacid, hexyl isotridecyl ester (9CI)
CAS No:85851-89-4
MF:C27H44O4
MW:432.635869026184
CID:727817
PubChem ID:56842585
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, hexyl isotridecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedicarboxylicacid, hexyl isotridecyl ester (9CI)
- 1-O-hexyl 2-O-(11-methyldodecyl) benzene-1,2-dicarboxylate
- hexyl isotridecyl phthalate
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- Inchi： 1S/C27H44O4/c1-4-5-6-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-12-10-8-7-9-11-13-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3
- InChI Key： KFKFOSIUAMETNI-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCC)=O)CCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 432.32395988g/mol
- Monoisotopic Mass: 432.32395988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 20
- Complexity: 460
- 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: 10.4
- Topological Polar Surface Area: 52.6?2
1,2-Benzenedicarboxylicacid, hexyl isotridecyl ester (9CI) Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
85851-89-4 (1,2-Benzenedicarboxylicacid, hexyl isotridecyl ester (9CI)) Related Products
- 28553-12-0(Diisononyl phthalate)
- 84-74-2(Dibutyl phthalate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 6422-86-2(Dioctyl Terepthalate)
- 27554-26-3(Diisooctyl phthalate)
- 94-46-2(Isopentyl benzoate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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