Cas no 85851-76-9 (1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester)
85851-76-9 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester
CAS No:85851-76-9
MF:C26H42O4
MW:418.609288692474
CID:730209
PubChem ID:3020984
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester
- 2,5-dimethylheptyl 4-methyloctyl phthalate
- 2-O-(2,5-dimethylheptyl) 1-O-(4-methyloctyl) benzene-1,2-dicarboxylate
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- Inchi： 1S/C26H42O4/c1-6-8-12-21(4)13-11-18-29-25(27)23-14-9-10-15-24(23)26(28)30-19-22(5)17-16-20(3)7-2/h9-10,14-15,20-22H,6-8,11-13,16-19H2,1-5H3
- InChI Key： NXXILHVVOZJPEM-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCC(C)CCCC)=O)CC(C)CCC(C)CC
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: 17
- Complexity: 476
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 8.9
Experimental Properties
- Density: 0.972
- Boiling Point: 391.4°C at 760 mmHg
- Flash Point: 208.2°C
- Refractive Index: 1.486
1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
85851-76-9 (1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester) Related Products
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