Cas no 98088-96-1 (1,2-Benzenedicarboxylicacid, 2-ethylhexyl isoundecyl ester (9CI))
98088-96-1 structure
Product Name:1,2-Benzenedicarboxylicacid, 2-ethylhexyl isoundecyl ester (9CI)
CAS No:98088-96-1
MF:C27H44O4
MW:432.635869026184
CID:815257
PubChem ID:113491
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 2-ethylhexyl isoundecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 2-ethylhexyl isoundecyl ester (9CI)
- 2-ethylhexyl isoundecyl phthalate
- 2-O-(2-ethylhexyl) 1-O-(9-methyldecyl) benzene-1,2-dicarboxylate
- 98088-96-1
- NS00122822
- EINECS 308-570-5
- 2-ethylhexyl 9-methyldecyl benzene-1,2-dicarboxylate
- DTXSID60913460
-
- Inchi： 1S/C27H44O4/c1-5-7-17-23(6-2)21-31-27(29)25-19-14-13-18-24(25)26(28)30-20-15-11-9-8-10-12-16-22(3)4/h13-14,18-19,22-23H,5-12,15-17,20-21H2,1-4H3
- InChI Key： KGLFTUQVQYGQMS-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCCCCC(C)C)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 432.324
- Monoisotopic Mass: 432.324
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 19
- Complexity: 474
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.968
- Boiling Point: 415.8°Cat760mmHg
- Flash Point: 222°C
- Refractive Index: 1.487
1,2-Benzenedicarboxylicacid, 2-ethylhexyl isoundecyl ester (9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
98088-96-1 (1,2-Benzenedicarboxylicacid, 2-ethylhexyl 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)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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