Cas no 56401-66-2 (Benzenesulfonic acid,4-decyl-, 9-octadecenyl ester, (Z)- (9CI))
56401-66-2 structure
Product Name:Benzenesulfonic acid,4-decyl-, 9-octadecenyl ester, (Z)- (9CI)
CAS No:56401-66-2
MF:C34H60O3S
MW:548.903409957886
CID:371887
PubChem ID:6443807
Update Time:2025-04-19
Benzenesulfonic acid,4-decyl-, 9-octadecenyl ester, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid,4-decyl-, 9-octadecenyl ester, (Z)- (9CI)
- octadec-9-enyl 4-decylbenzenesulfonate
- oleyl 4-decylbenzenesulfonate
- (9Z)-Octadec-9-en-1-yl 4-decylbenzenesulfonate
- benzenesulfonic acid, 4-decyl-, (9Z)-9-octadecen-1-yl ester
- [(Z)-octadec-9-enyl] 4-decylbenzenesulfonate
- oleylp-(n-decyl)-benzenesulfonate
- 4-Decylbenzenesulfonic acid, (Z)-9-octadecenyl ester
- Oleyl-p-(n-decyl)benzenesulfonate
- Oleyl p-decylbenzenefulfonate
- 56401-66-2
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- Inchi： 1S/C34H60O3S/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-32-37-38(35,36)34-30-28-33(29-31-34)27-25-23-21-12-10-8-6-4-2/h15-16,28-31H,3-14,17-27,32H2,1-2H3/b16-15-
- InChI Key： CAVFEJQLGZAYSA-NXVVXOECSA-N
- SMILES： S(C1C=CC(=CC=1)CCCCCCCCCC)(=O)(=O)OCCCCCCCC/C=C\CCCCCCCC
Computed Properties
- Exact Mass: 548.4266
- Monoisotopic Mass: 548.426316
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 38
- Rotatable Bond Count: 27
- Complexity: 614
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.8
- XLogP3: 14.2
Experimental Properties
- Density: 0.951
- Boiling Point: 625.4°Cat760mmHg
- Flash Point: 332°C
- Refractive Index: 1.49
- PSA: 43.37
Benzenesulfonic acid,4-decyl-, 9-octadecenyl ester, (Z)- (9CI) Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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