Cas no 93820-24-7 (2-octadecylbenzenesulfonic acid)
93820-24-7 structure
Product Name:2-octadecylbenzenesulfonic acid
CAS No:93820-24-7
MF:C24H42O3S
MW:410.653486728668
CID:805988
PubChem ID:3015434
Update Time:2025-04-19
2-octadecylbenzenesulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-octadecylbenzenesulfonic acid
- octadecylbenzenesulphonic acid
- NS00002033
- 2-Octadecyl benzenesulfonic acid
- Benzenesulfonic acid, 2-octadecyl-
- EINECS 249-268-2
- 79840-55-4
- Benzenesulfonic acid, octadecenyl-
- EC 249-268-2
- 28855-17-6
- EINECS 298-607-0
- SCHEMBL158973
- OCTADECYLBENZENESULFONIC ACID
- W-109206
- 93820-24-7
- DTXSID20880068
-
- Inchi： 1S/C24H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27)
- InChI Key： AQQPJNOXVZFTGE-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CCCCCCCCCCCCCCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 410.28546637g/mol
- Monoisotopic Mass: 410.28546637g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 18
- Complexity: 441
- 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: 10.1
- Topological Polar Surface Area: 62.8?2
2-octadecylbenzenesulfonic acid Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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4. 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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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