Cas no 85168-79-2 (1,2-Benzenedicarboxylicacid, isononyl isoundecyl ester (9CI))
85168-79-2 structure
Product Name:1,2-Benzenedicarboxylicacid, isononyl isoundecyl ester (9CI)
CAS No:85168-79-2
MF:C28H46O4
MW:446.662449359894
CID:722036
PubChem ID:44153542
Update Time:2024-03-01
1,2-Benzenedicarboxylicacid, isononyl isoundecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedicarboxylicacid, isononyl isoundecyl ester (9CI)
- 1-O-(9-methyldecyl) 2-O-(7-methyloctyl) benzene-1,2-dicarboxylate
- isononyl isoundecyl phthalate
- Einecs 285-920-2
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- Inchi： 1S/C28H46O4/c1-23(2)17-11-7-5-6-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
- InChI Key： RYGBVOASDMNHGN-UHFFFAOYSA-N
- SMILES： C(OCCCCCCCCC(C)C)(=O)C1=CC=CC=C1C(OCCCCCCC(C)C)=O
Computed Properties
- Exact Mass: 446.34
- Monoisotopic Mass: 446.34
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 20
- Complexity: 486
- 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: 10.6
- Topological Polar Surface Area: 52.6A^2
1,2-Benzenedicarboxylicacid, isononyl isoundecyl ester (9CI) Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
85168-79-2 (1,2-Benzenedicarboxylicacid, isononyl 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%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 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)
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