Cas no 55133-99-8 (Benzoic acid, 2-methyl-, (2-methylphenyl)methyl ester)
55133-99-8 structure
Product Name:Benzoic acid, 2-methyl-, (2-methylphenyl)methyl ester
CAS No:55133-99-8
MF:C16H16O2
MW:240.297044754028
CID:352742
PubChem ID:570573
Update Time:2025-04-19
Benzoic acid, 2-methyl-, (2-methylphenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methyl-, (2-methylphenyl)methyl ester
- (2-methylphenyl)methyl 2-methylbenzoate
- 2-Methylbenzoic acid (2-methylphenyl)methyl ester
- DTXSID90341136
- o-Methylbenzyl o-toluate
- 55133-99-8
- SCHEMBL9578209
- 2-Methylbenzoic acid(2-methylphenyl)methyl ester
- 2-Methylbenzyl 2-methylbenzoate #
- MBIGBQIEPKEBLI-UHFFFAOYSA-N
-
- Inchi： 1S/C16H16O2/c1-12-7-3-5-9-14(12)11-18-16(17)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
- InChI Key： MBIGBQIEPKEBLI-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C)=O)CC1C=CC=CC=1C
Computed Properties
- Exact Mass: 240.11508
- Monoisotopic Mass: 240.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 274
- 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: 4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2-methyl-, (2-methylphenyl)methyl ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
55133-99-8 (Benzoic acid, 2-methyl-, (2-methylphenyl)methyl ester) Related Products
- 120-51-4(Benzyl benzoate)
- 87-41-2(Phthalide)
- 87-24-1(Ethyl 2-methylbenzoate)
- 89-71-4(Methyl o-toluate)
- 2282-84-0(Methyl 2,4,6-trimethylbenzoate)
- 94-08-6(Ethyl p-toluate)
- 117-82-8(Bis(2-methoxyethyl) phthalate)
- 552-30-7(Trimellitic Anhydride)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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