Cas no 25550-79-2 (Hexanedioic acid,bis(nonylphenyl) ester (9CI))
25550-79-2 structure
Product Name:Hexanedioic acid,bis(nonylphenyl) ester (9CI)
CAS No:25550-79-2
MF:C36H54O4
MW:550.811571598053
CID:281582
PubChem ID:3015239
Update Time:2025-04-19
Hexanedioic acid,bis(nonylphenyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid,bis(nonylphenyl) ester (9CI)
- bis(2-nonylphenyl) hexanedioate
- Bis(nonylphenyl) adipate
- DTXSID10180246
- EINECS 247-097-8
- 25550-79-2
- NS00027915
- Bis-(nonylphenyl)adipate
-
- Inchi： 1S/C36H54O4/c1-3-5-7-9-11-13-15-23-31-25-17-19-27-33(31)39-35(37)29-21-22-30-36(38)40-34-28-20-18-26-32(34)24-16-14-12-10-8-6-4-2/h17-20,25-28H,3-16,21-24,29-30H2,1-2H3
- InChI Key： NECICMYQQDSCJO-UHFFFAOYSA-N
- SMILES： O(C(CCCCC(=O)OC1C=CC=CC=1CCCCCCCCC)=O)C1C=CC=CC=1CCCCCCCCC
Computed Properties
- Exact Mass: 550.40242
- Monoisotopic Mass: 550.40221020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 40
- Rotatable Bond Count: 25
- Complexity: 578
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Hexanedioic acid,bis(nonylphenyl) ester (9CI) Related Literature
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1. 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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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