Cas no 59431-98-0 (1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(1-methylheptyl) ester)
59431-98-0 structure
Product Name:1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(1-methylheptyl) ester
CAS No:59431-98-0
MF:C33H54O6
MW:546.778271198273
CID:368800
PubChem ID:62153
Update Time:2025-04-19
1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(1-methylheptyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(1-methylheptyl) ester
- trioctan-2-yl benzene-1,2,4-tricarboxylate
- tris(1-methylheptyl) benzene-1,2,4-tricarboxylate
- 1,2,4-Benzenetricarboxylic acid, tricapryl ester
- 1,2,4-Benzenetricarboxylic acid, tris(1-methylheptyl) ester
- Tris(1-methylheptyl) trimellitate
- SCHEMBL2910662
- Tris-(1-methylheptyl)benzene-1,2,4-tricarboxylate
- 59431-98-0
- 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(1-methylheptyl) ester
- EINECS 261-759-3
- DTXSID30866757
- NS00055218
-
- Inchi： 1S/C33H54O6/c1-7-10-13-16-19-25(4)37-31(34)28-22-23-29(32(35)38-26(5)20-17-14-11-8-2)30(24-28)33(36)39-27(6)21-18-15-12-9-3/h22-27H,7-21H2,1-6H3
- InChI Key： UVCNQUKPQSCICG-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C=CC=1C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC)=O)C(C)CCCCCC
Computed Properties
- Exact Mass: 546.39222
- Monoisotopic Mass: 546.392039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 39
- Rotatable Bond Count: 24
- Complexity: 677
- 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: 78.9
- XLogP3: 11.4
Experimental Properties
- Density: 0.992
- Boiling Point: 585°C at 760 mmHg
- Flash Point: 238.3°C
- Refractive Index: 1.488
- PSA: 78.9
1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(1-methylheptyl) ester Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Julia M. Yeomans Soft Matter, 2010,6, 703-704
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
59431-98-0 (1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(1-methylheptyl) ester) Related Products
- 84-74-2(Dibutyl phthalate)
- 3319-31-1(Trioctyl Trimellitate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 84-61-7(Dicyclohexyl phthalate)
- 84-76-4(Dinonyl phthalate)
- 117-84-0(1,2-dioctyl benzene-1,2-dicarboxylate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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