Cas no 53817-59-7 (2-Butenedioic acid(2Z)-, diisotridecyl ester (9CI))
53817-59-7 structure
Product Name:2-Butenedioic acid(2Z)-, diisotridecyl ester (9CI)
CAS No:53817-59-7
MF:C30H56O4
MW:480.763250350952
CID:367942
PubChem ID:103846
Update Time:2025-04-19
2-Butenedioic acid(2Z)-, diisotridecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2Z)-, diisotridecyl ester (9CI)
- diisotridecyl maleate
- bis(11-methyldodecyl) but-2-enedioate
- 53817-59-7
- DTXSID30968604
- EINECS 258-804-4
- NS00057799
-
- Inchi： 1S/C30H56O4/c1-27(2)21-17-13-9-5-7-11-15-19-25-33-29(31)23-24-30(32)34-26-20-16-12-8-6-10-14-18-22-28(3)4/h23-24,27-28H,5-22,25-26H2,1-4H3
- InChI Key： JEHBOJVFHNCQJZ-UHFFFAOYSA-N
- SMILES： O(C(C=CC(=O)OCCCCCCCCCCC(C)C)=O)CCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 480.41808
- Monoisotopic Mass: 480.418
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 26
- Complexity: 452
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 11.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.915
- Boiling Point: 539°Cat760mmHg
- Flash Point: 252.6°C
- Refractive Index: 1.462
- PSA: 52.6
2-Butenedioic acid(2Z)-, diisotridecyl ester (9CI) Related Literature
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
53817-59-7 (2-Butenedioic acid(2Z)-, diisotridecyl ester (9CI)) Related Products
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