Cas no 61911-58-8 (Maleic acid 1-butyl 4-octyl ester)
61911-58-8 structure
Product Name:Maleic acid 1-butyl 4-octyl ester
CAS No:61911-58-8
MF:C16H28O4
MW:284.391125679016
CID:2188972
PubChem ID:6437759
Update Time:2025-04-21
Maleic acid 1-butyl 4-octyl ester Chemical and Physical Properties
Names and Identifiers
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- Maleic acid 1-butyl 4-octyl ester
- 1-O-butyl 4-O-octyl (Z)-but-2-enedioate
- SCHEMBL10711549
- 61911-58-8
- 2-Butenedioic acid (2Z)-, butyl octyl ester
- KBZVSYQZRXCWHY-QXMHVHEDSA-N
- Butyl octyl maleate
- 2-Butenedioic acid (2Z)-, 1-butyl 4-octyl ester
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- Inchi： 1S/C16H28O4/c1-3-5-7-8-9-10-14-20-16(18)12-11-15(17)19-13-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11-
- InChI Key： KBZVSYQZRXCWHY-QXMHVHEDSA-N
- SMILES： O(C(/C=C\C(=O)OCCCC)=O)CCCCCCCC
Computed Properties
- Exact Mass: 284.19875937Da
- Monoisotopic Mass: 284.19875937Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 284
- 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: 4.9
- Topological Polar Surface Area: 52.6?2
Maleic acid 1-butyl 4-octyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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