Cas no 130650-45-2 (1-Docosanol, 4-methyl-, 4-methylbenzenesulfonate, (S)-)
130650-45-2 structure
Product Name:1-Docosanol, 4-methyl-, 4-methylbenzenesulfonate, (S)-
CAS No:130650-45-2
MF:C30H54O3S
MW:494.812968730927
CID:1226658
Update Time:2024-08-05
1-Docosanol, 4-methyl-, 4-methylbenzenesulfonate, (S)- Chemical and Physical Properties
Names and Identifiers
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- 1-Docosanol, 4-methyl-, 4-methylbenzenesulfonate, (S)-
- 1-Docosanol, 4-methyl-, 4-methylbenzenesulfonate, (S)- (9CI)
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- Inchi： 1S/C30H54O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28(2)22-20-27-33-34(31,32)30-25-23-29(3)24-26-30/h23-26,28H,4-22,27H2,1-3H3/t28-/m0/s1
- InChI Key： VWHWWKAYRQUUKX-NDEPHWFRSA-N
- SMILES： C(OS(C1=CC=C(C)C=C1)(=O)=O)CC[C@@H](C)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 512.39018
Experimental Properties
- Density: 0.956±0.06 g/cm3(Predicted)
- Boiling Point: 575.2±19.0 °C(Predicted)
- PSA: 74.6
1-Docosanol, 4-methyl-, 4-methylbenzenesulfonate, (S)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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