Cas no 85851-79-2 (1,2-Benzenedicarboxylicacid, 1-(3-ethylheptyl) 2-(4-methyloctyl) ester)
85851-79-2 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(3-ethylheptyl) 2-(4-methyloctyl) ester
CAS No:85851-79-2
MF:C26H42O4
MW:418.609288692474
CID:732995
PubChem ID:3020987
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 1-(3-ethylheptyl) 2-(4-methyloctyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 1-(3-ethylheptyl) 2-(4-methyloctyl) ester
- 2-O-(3-ethylheptyl) 1-O-(4-methyloctyl) benzene-1,2-dicarboxylate
- 3-ethylheptyl 4-methyloctyl phthalate
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- Inchi： 1S/C26H42O4/c1-5-8-13-21(4)14-12-19-29-25(27)23-16-10-11-17-24(23)26(28)30-20-18-22(7-3)15-9-6-2/h10-11,16-17,21-22H,5-9,12-15,18-20H2,1-4H3
- InChI Key： IUYBJQLDYPVZHG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCC(C)CCCC)=O)CCC(CC)CCCC
Computed Properties
- Exact Mass: 418.30831
- Monoisotopic Mass: 418.30831
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 18
- Complexity: 462
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.7
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 0.973
- Boiling Point: 405.7°C at 760 mmHg
- Flash Point: 216.3°C
- Refractive Index: 1.487
1,2-Benzenedicarboxylicacid, 1-(3-ethylheptyl) 2-(4-methyloctyl) ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
85851-79-2 (1,2-Benzenedicarboxylicacid, 1-(3-ethylheptyl) 2-(4-methyloctyl) ester) Related Products
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- 85-68-7(Benzyl butyl phthalate)
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