Cas no 85168-78-1 (1,2-Benzenedicarboxylicacid, isotridecyl isoundecyl ester (9CI))
85168-78-1 structure
Product Name:1,2-Benzenedicarboxylicacid, isotridecyl isoundecyl ester (9CI)
CAS No:85168-78-1
MF:C32H54O4
MW:502.768770694733
CID:727935
PubChem ID:44149746
Update Time:2024-03-01
1,2-Benzenedicarboxylicacid, isotridecyl isoundecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedicarboxylicacid, isotridecyl isoundecyl ester (9CI)
- 2-O-(9-methyldecyl) 1-O-(11-methyldodecyl) benzene-1,2-dicarboxylate
- isotridecyl isoundecyl phthalate
- Einecs 285-919-7
-
- Inchi： 1S/C32H54O4/c1-27(2)21-15-11-7-5-6-9-13-19-25-35-31(33)29-23-17-18-24-30(29)32(34)36-26-20-14-10-8-12-16-22-28(3)4/h17-18,23-24,27-28H,5-16,19-22,25-26H2,1-4H3
- InChI Key： VZRXANOBJIDWDV-UHFFFAOYSA-N
- SMILES： C(OCCCCCCCCC(C)C)(=O)C1=CC=CC=C1C(OCCCCCCCCCCC(C)C)=O
Computed Properties
- Exact Mass: 502.402
- Monoisotopic Mass: 502.402
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- Rotatable Bond Count: 24
- Complexity: 542
- 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: 12.8
- Topological Polar Surface Area: 52.6A^2
1,2-Benzenedicarboxylicacid, isotridecyl isoundecyl ester (9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
85168-78-1 (1,2-Benzenedicarboxylicacid, isotridecyl isoundecyl 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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