Cas no 38612-03-2 ((3-methylphenyl)methyl Benzoate)
38612-03-2 structure
Product Name:(3-methylphenyl)methyl Benzoate
CAS No:38612-03-2
MF:C15H14O2
MW:226.270464420319
CID:923740
PubChem ID:347940
Update Time:2025-04-19
(3-methylphenyl)methyl Benzoate Chemical and Physical Properties
Names and Identifiers
-
- (3-methylphenyl)methyl benzoate
- 3-Methylbenzyl benzoate
- AC1L88G8
- Benzoesaeure-(3-methyl-benzylester)
- Benzoesaeure-< 3-methyl-benzylester>
- benzoic acid-(3-methyl-benzyl ester)
- CHEMBL453990
- CTK1C6745
- NSC406870
- Q63398668
- PNDUDVIQWFVXIO-UHFFFAOYSA-N
- Benzenemethanol, 3-methyl-, benzoate
- BDBM50479144
- NSC-406870
- Benzoic acid, (3-methylphenyl)methyl ester
- 38612-03-2
- DTXSID10324507
- (3-methylphenyl)methyl Benzoate
-
- Inchi： 1S/C15H14O2/c1-12-6-5-7-13(10-12)11-17-15(16)14-8-3-2-4-9-14/h2-10H,11H2,1H3
- InChI Key： PNDUDVIQWFVXIO-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CC1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 226.09942
- Monoisotopic Mass: 226.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 243
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 3.35200
(3-methylphenyl)methyl Benzoate Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
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
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
38612-03-2 ((3-methylphenyl)methyl Benzoate) Related Products
- 120-51-4(Benzyl benzoate)
- 1679-64-7(Mono-Methyl terephthalate)
- 87-24-1(Ethyl 2-methylbenzoate)
- 99-75-2(Methyl p-Toluate)
- 1459-93-4(Dimethyl isophthalate)
- 93-97-0(Benzoic anhydride)
- 94-08-6(Ethyl p-toluate)
- 99-36-5(Methyl 3-methylbenzoate)
- 140-11-4(Benzyl acetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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