Cas no 27937-24-2 (1,4-Benzenedicarboxylicacid, 1,4-diisooctyl ester)
27937-24-2 structure
Product Name:1,4-Benzenedicarboxylicacid, 1,4-diisooctyl ester
CAS No:27937-24-2
MF:C24H38O4
MW:390.556128025055
CID:251609
PubChem ID:14647349
Update Time:2025-04-19
1,4-Benzenedicarboxylicacid, 1,4-diisooctyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylicacid, 1,4-diisooctyl ester
- bis(6-methylheptyl) benzene-1,4-dicarboxylate
- 1,4-Benzenedicarboxylicacid, diisooctyl ester (9CI)
- Diisooctyl terephthalate
- Terephthalic acid, diisooctyl ester (7CI)
- DTXSID90562581
- SCHEMBL110550
- 27937-24-2
-
- Inchi： 1S/C24H38O4/c1-19(2)11-7-5-9-17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-10-6-8-12-20(3)4/h13-16,19-20H,5-12,17-18H2,1-4H3
- InChI Key： KFROBPVFLIZCHZ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)C(=O)OCCCCCC(C)C)=O)CCCCCC(C)C
Computed Properties
- Exact Mass: 390.27714
- Monoisotopic Mass: 390.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 16
- Complexity: 382
- 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: 9.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,4-Benzenedicarboxylicacid, 1,4-diisooctyl ester Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
27937-24-2 (1,4-Benzenedicarboxylicacid, 1,4-diisooctyl ester) Related Products
- 136-60-7(Butyl benzoate)
- 28553-12-0(Diisononyl phthalate)
- 1962-75-0(1,4-dibutyl benzene-1,4-dicarboxylate)
- 3126-90-7(Dibutyl isophthalate)
- 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)
- 94-50-8(Octyl benzoate)
- 137-89-3(Bis(2-ethylhexyl) Benzene-1,3-dicarboxylate)
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