Cas no 194725-26-3 (Octyl 2-methylbenzoate)
Octyl 2-methylbenzoate structure
Product Name:Octyl 2-methylbenzoate
CAS No:194725-26-3
MF:C16H24O2
MW:248.360565185547
CID:2788597
PubChem ID:519665
Update Time:2025-04-21
Octyl 2-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- o-Toluylic acid, octyl ester
- o-Toluic acid, octyl ester
- 194725-26-3
- Octyl 2-methylbenzoate
- DTXSID30334108
- SCHEMBL6057066
- HFHCPLJKATZYOB-UHFFFAOYSA-N
- Octyl 2-methylbenzoate #
-
- Inchi： 1S/C16H24O2/c1-3-4-5-6-7-10-13-18-16(17)15-12-9-8-11-14(15)2/h8-9,11-12H,3-7,10,13H2,1-2H3
- InChI Key： HFHCPLJKATZYOB-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C)=O)CCCCCCCC
Computed Properties
- Exact Mass: 248.177630004Da
- Monoisotopic Mass: 248.177630004Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 225
- 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: 6.2
- Topological Polar Surface Area: 26.3?2
Octyl 2-methylbenzoate Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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