Cas no 57198-98-8 (Benzoic acid, 2,4,6-tris(1-methylethyl)-, methyl ester)
57198-98-8 structure
Product Name:Benzoic acid, 2,4,6-tris(1-methylethyl)-, methyl ester
CAS No:57198-98-8
MF:C17H26O2
MW:262.387145519257
CID:1602558
PubChem ID:71444290
Update Time:2025-04-21
Benzoic acid, 2,4,6-tris(1-methylethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4,6-tris(1-methylethyl)-, methyl ester
- methyl 2,4,6-tri(propan-2-yl)benzoate
- 57198-98-8
- METHYL2,4,6-TRIISOPROPYLBENZOATE
- METHYL 2,4,6-TRIISOPROPYLBENZOATE
- DTXSID60853079
- SCHEMBL19245855
-
- Inchi： 1S/C17H26O2/c1-10(2)13-8-14(11(3)4)16(17(18)19-7)15(9-13)12(5)6/h8-12H,1-7H3
- InChI Key： WZVOWLNFGMGYQQ-UHFFFAOYSA-N
- SMILES： O(C)C(C1C(=CC(=CC=1C(C)C)C(C)C)C(C)C)=O
Computed Properties
- Exact Mass: 262.19338
- Monoisotopic Mass: 262.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 276
- 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: 5.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2,4,6-tris(1-methylethyl)-, methyl ester 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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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