Cas no 85168-77-0 (1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI))
85168-77-0 structure
Product Name:1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI)
CAS No:85168-77-0
MF:C31H52O4
MW:488.742190361023
CID:734339
PubChem ID:22274721
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI)
- 1-O-(11-methyldodecyl) 2-O-(8-methylnonyl) benzene-1,2-dicarboxylate
- isodecyl isotridecyl phthalate
- Isodecyl isotridecyl phthalate (Technical)
- EINECS 285-918-1
- SCHEMBL6325391
- NS00038818
- DTXSID50234318
- 85168-77-0
-
- Inchi: 1S/C31H52O4/c1-26(2)20-14-10-7-5-6-8-12-18-24-34-30(32)28-22-16-17-23-29(28)31(33)35-25-19-13-9-11-15-21-27(3)4/h16-17,22-23,26-27H,5-15,18-21,24-25H2,1-4H3
- InChI Key: CJUZLEPRTLYUCM-UHFFFAOYSA-N
- SMILES: O(C(C1C=CC=CC=1C(=O)OCCCCCCCC(C)C)=O)CCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 488.38656014g/mol
- Monoisotopic Mass: 488.38656014g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- Rotatable Bond Count: 23
- Complexity: 528
- 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: 12.3
- Topological Polar Surface Area: 52.6?2
1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (9CI) Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
85168-77-0 (1,2-Benzenedicarboxylicacid, isodecyl isotridecylester (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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