Cas no 58425-67-5 (Benzenesulfonic acid, hexyl-)
Benzenesulfonic acid, hexyl- structure
Product Name:Benzenesulfonic acid, hexyl-
CAS No:58425-67-5
MF:C12H18O3S
MW:242.334522724152
CID:342119
PubChem ID:13765448
Update Time:2025-04-19
Benzenesulfonic acid, hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, hexyl-
- 2-hexylbenzenesulfonic acid
- 2-Hexylbenzene-1-sulfonic acid
- DTXSID40548850
- 58425-67-5
- SCHEMBL150981
-
- Inchi： 1S/C12H18O3S/c1-2-3-4-5-8-11-9-6-7-10-12(11)16(13,14)15/h6-7,9-10H,2-5,8H2,1H3,(H,13,14,15)
- InChI Key： SYSFRXFRWRDPIJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 242.09774
- Monoisotopic Mass: 242.09766561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 279
- 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: 3.6
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- PSA: 54.37
Benzenesulfonic acid, hexyl- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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2. 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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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