Cas no 67811-06-7 (Benzenesulfonic acid, 2,4,6-trimethyl-, 4-methylphenyl ester)
67811-06-7 structure
Product Name:Benzenesulfonic acid, 2,4,6-trimethyl-, 4-methylphenyl ester
CAS No:67811-06-7
MF:C16H18O3S
MW:290.377323627472
CID:394089
PubChem ID:4342833
Update Time:2025-04-19
Benzenesulfonic acid, 2,4,6-trimethyl-, 4-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 2,4,6-trimethyl-, 4-methylphenyl ester
- (4-methylphenyl) 2,4,6-trimethylbenzenesulfonate
- (4-methylphenyl)mesitylene sulfonate
- 1R DOSWR B1 D1 F1
- 4-Methylphenyl 2,4,6-trimethylbenzenesulfonate
- 4-Tolyl mesitylenesulfonate
- p-Tolyl m?esitylene?sulfonate
- EC 407-530-5
- NS00006898
- P-TOLYL MESITYLSULFONATE
- SCHEMBL6241668
- AKOS024337883
- 67811-06-7
- DTXSID00402141
- 4-methylphenyl mesitylenesulfonate
- FWHYSYZWOFUAAH-UHFFFAOYSA-N
-
- Inchi： 1S/C16H18O3S/c1-11-5-7-15(8-6-11)19-20(17,18)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3
- InChI Key： FWHYSYZWOFUAAH-UHFFFAOYSA-N
- SMILES： S(C1C(C)=CC(C)=CC=1C)(=O)(=O)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 290.09774
- Monoisotopic Mass: 290.098
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 392
- 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
- Topological Polar Surface Area: 51.8A^2
- XLogP3: 4.5
Experimental Properties
- Density: 1.169
- Boiling Point: 431.6°C at 760 mmHg
- Flash Point: 214.8°C
- Refractive Index: 1.562
- PSA: 43.37
Benzenesulfonic acid, 2,4,6-trimethyl-, 4-methylphenyl ester Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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