Cas no 5864-89-1 (Butanedioic acid, [(3-methylphenyl)methyl]-, didecyl ester)
![Butanedioic acid, [(3-methylphenyl)methyl]-, didecyl ester structure](https://ossimg.kuujia.com/scimg/6000/5864-89-1x500.png)
5864-89-1 structure
Product Name:Butanedioic acid, [(3-methylphenyl)methyl]-, didecyl ester
CAS No:5864-89-1
MF:C32H54O4
MW:502.768770694733
CID:341357
PubChem ID:71443420
Update Time:2025-04-19
Butanedioic acid, [(3-methylphenyl)methyl]-, didecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, [(3-methylphenyl)methyl]-, didecyl ester
- didecyl 2-[(3-methylphenyl)methyl]butanedioate
- 5864-89-1
- DTXSID20852245
-
- Inchi： 1S/C32H54O4/c1-4-6-8-10-12-14-16-18-23-35-31(33)27-30(26-29-22-20-21-28(3)25-29)32(34)36-24-19-17-15-13-11-9-7-5-2/h20-22,25,30H,4-19,23-24,26-27H2,1-3H3
- InChI Key： YPGIGEBPEYLFJT-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)OCCCCCCCCCC)CC1C=CC=C(C)C=1)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 502.40242
- Monoisotopic Mass: 502.40221020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- Rotatable Bond Count: 25
- Complexity: 532
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, [(3-methylphenyl)methyl]-, didecyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
5864-89-1 (Butanedioic acid, [(3-methylphenyl)methyl]-, didecyl ester) Related Products
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