Cas no 64277-94-7 (Octanoic acid, 2-methyl-4-oxo-, ethyl ester)
64277-94-7 structure
Product Name:Octanoic acid, 2-methyl-4-oxo-, ethyl ester
CAS No:64277-94-7
MF:C11H20O3
MW:200.274703979492
CID:1681275
Update Time:2024-09-03
Octanoic acid, 2-methyl-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Octanoic acid, 2-methyl-4-oxo-, ethyl ester
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- Inchi： 1S/C11H20O3/c1-4-6-7-10(12)8-9(3)11(13)14-5-2/h9H,4-8H2,1-3H3
- InChI Key： JTKBBUZRLOCRAI-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C(C)CC(=O)CCCC
Computed Properties
- Exact Mass: 200.1413
Experimental Properties
- Density: 0.948±0.06 g/cm3(Predicted)
- Boiling Point: 271.4±13.0 °C(Predicted)
- PSA: 43.37
Octanoic acid, 2-methyl-4-oxo-, ethyl ester Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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