Cas no 39149-66-1 (Butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester)
39149-66-1 structure
Product Name:Butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester
CAS No:39149-66-1
MF:C10H18O3
MW:186.248123645782
CID:1506639
Update Time:2024-08-24
Butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester
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- Inchi： 1S/C10H18O3/c1-6-8(7(2)11)9(12)13-10(3,4)5/h8H,6H2,1-5H3
- InChI Key： GZNGAPMYYKLDEP-UHFFFAOYSA-N
- SMILES： C(OC(C)(C)C)(=O)C(CC)C(=O)C
Computed Properties
- Exact Mass: 186.12564
Experimental Properties
- Density: 0.956±0.06 g/cm3(Predicted)
- Boiling Point: 208.0±8.0 °C(Predicted)
- PSA: 43.37
- pka: 12.03±0.46(Predicted)
Butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
39149-66-1 (Butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester) Related Products
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