Cas no 149607-81-8 (Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxododecyl)oxy]propyl] ester)
![Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxododecyl)oxy]propyl] ester structure](https://ossimg.kuujia.com/scimg/150000/149607-81-8x500.png)
149607-81-8 structure
Product Name:Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxododecyl)oxy]propyl] ester
CAS No:149607-81-8
MF:C36H66O10
MW:658.903253078461
CID:100159
PubChem ID:5214727
Update Time:2025-04-18
Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxododecyl)oxy]propyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxododecyl)oxy]propyl] ester
- bis(3-dodecanoyloxy-2-hydroxypropyl) hexanedioate
- WM-3
- BIS(3-DODECANOYLOXY-2-HYDROXYPROPYL) ADIPATE
- Bis[3-(dodecanoyloxy)-2-hydroxypropyl] hexanedioate
- DTXSID50410519
- 149607-81-8
-
- Inchi： 1S/C36H66O10/c1-3-5-7-9-11-13-15-17-19-23-33(39)43-27-31(37)29-45-35(41)25-21-22-26-36(42)46-30-32(38)28-44-34(40)24-20-18-16-14-12-10-8-6-4-2/h31-32,37-38H,3-30H2,1-2H3
- InChI Key： KNXCRXVEYZHQEA-UHFFFAOYSA-N
- SMILES： O(CC(COC(CCCCC(=O)OCC(COC(CCCCCCCCCCC)=O)O)=O)O)C(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 658.46578
- Monoisotopic Mass: 658.46559830g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 46
- Rotatable Bond Count: 37
- Complexity: 695
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.5
- Topological Polar Surface Area: 146?2
Experimental Properties
- PSA: 145.66
Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxododecyl)oxy]propyl] ester Security Information
- Safety Instruction： 23-24/25
Hexanedioic acid,1,6-bis[2-hydroxy-3-[(1-oxododecyl)oxy]propyl] 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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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