Cas no 68610-90-2 (Didecyl (E)-but-2-enedioate)
Didecyl (E)-but-2-enedioate structure
Product Name:Didecyl (E)-but-2-enedioate
CAS No:68610-90-2
MF:C24H44O4
MW:396.603768348694
CID:508732
Update Time:2023-08-03
Didecyl (E)-but-2-enedioate Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid (2E)-, di-C8-18-alkyl esters
- (C8-C18)Dialkyl fumarate
- 2-Butenedioic acid (E)-, di-C8-18-alkyl esters
- didecyl (2E)-but-2-enedioate
- Di-n-decyl fumarate
- Fumaric acid didecyl ester
- Didecyl (E)-but-2-enedioate
-
- Inchi： 1S/C24H44O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h19-20H,3-18,21-22H2,1-2H3/b20-19+
- InChI Key： BVVRPLNLVUMGSL-FMQUCBEESA-N
- SMILES： O(C(/C=C/C(=O)OCCCCCCCCCC)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 340.261
- Monoisotopic Mass: 340.261
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 22
- Complexity: 354
- 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
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 0.932
- Boiling Point: 471.7°C at 760 mmHg
- Flash Point: 221.3°C
- Refractive Index: 1.461
Didecyl (E)-but-2-enedioate Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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