Cas no 112385-09-8 (2-Butenedioic acid(2Z)-, 1,4-diisooctadecyl ester)
112385-09-8 structure
Product Name:2-Butenedioic acid(2Z)-, 1,4-diisooctadecyl ester
CAS No:112385-09-8
MF:C40H76O4
MW:621.029053688049
CID:129760
PubChem ID:10121860
Update Time:2025-04-19
2-Butenedioic acid(2Z)-, 1,4-diisooctadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2Z)-, 1,4-diisooctadecyl ester
- bis(16-methylheptadecyl) (Z)-but-2-enedioate
- DIISOSTEARYL FUMARATE
- 2-Butenedioic acid (2Z)-, diisooctadecyl ester
- 587Z76E9M5
- Q27261569
- 2-Butenedioic acid (2Z)-, 1,4-diisooctadecyl ester
- 112385-09-8
- SCHEMBL490016
- UNII-587Z76E9M5
- Diisostearyl maleate
- 2-Butenedioic acid (Z)-, diisooctadecyl ester
-
- Inchi： 1S/C40H76O4/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-35-43-39(41)33-34-40(42)44-36-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h33-34,37-38H,5-32,35-36H2,1-4H3/b34-33-
- InChI Key： UNZOESWLBMZBEY-YHZPTAEISA-N
- SMILES： O(C(/C=C\C(=O)OCCCCCCCCCCCCCCCC(C)C)=O)CCCCCCCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 620.57436090g/mol
- Monoisotopic Mass: 620.57436090g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 44
- Rotatable Bond Count: 36
- Complexity: 585
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 17.3
- Topological Polar Surface Area: 52.6?2
2-Butenedioic acid(2Z)-, 1,4-diisooctadecyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
112385-09-8 (2-Butenedioic acid(2Z)-, 1,4-diisooctadecyl ester) Related Products
- 1330-75-2(Diisooctyl fumarate)
- 1330-76-3(Bis(6-methylheptyl) maleate)
- 2997-85-5(Dioctyl fumarate)
- 142-16-5(Bis(2-ethylhexyl)maleate)
- 19139-31-2(Di-N-hexyl Fumarate)
- 105-76-0(Dibutyl maleate)
- 2915-53-9(Dioctyl maleate)
- 19089-92-0(Hexyl trans-2-butenoate)
- 105-75-9(Dibutyl fumarate)
- 1330-61-6(Isodecyl acrylate)
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