Cas no 52392-56-0 (Benzoic acid, 2,6-dimethyl-, butyl ester)
52392-56-0 structure
Product Name:Benzoic acid, 2,6-dimethyl-, butyl ester
CAS No:52392-56-0
MF:C13H18O2
MW:206.280824184418
CID:359744
PubChem ID:10013217
Update Time:2025-04-19
Benzoic acid, 2,6-dimethyl-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,6-dimethyl-, butyl ester
- butyl 2,6-dimethylbenzoate
- SCHEMBL11839195
- 2,6-dimethyl-benzoic acid butyl ester
- 52392-56-0
- DTXSID70434151
-
- Inchi： 1S/C13H18O2/c1-4-5-9-15-13(14)12-10(2)7-6-8-11(12)3/h6-8H,4-5,9H2,1-3H3
- InChI Key： GMTKGCXSWVRXLE-UHFFFAOYSA-N
- SMILES： O(C(C1C(C)=CC=CC=1C)=O)CCCC
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 191
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2,6-dimethyl-, butyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
52392-56-0 (Benzoic acid, 2,6-dimethyl-, butyl ester) Related Products
- 136-60-7(Butyl benzoate)
- 28553-12-0(Diisononyl phthalate)
- 84-74-2(Dibutyl phthalate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 27554-26-3(Diisooctyl phthalate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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