Cas no 2834-16-4 (2,3,4-Pentanetriol, 3-ethyl-2,4-dimethyl-)
2834-16-4 structure
Product Name:2,3,4-Pentanetriol, 3-ethyl-2,4-dimethyl-
CAS No:2834-16-4
MF:C9H20O3
MW:176.253303527832
CID:915065
Update Time:2023-11-19
2,3,4-Pentanetriol, 3-ethyl-2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-ethyl-2,4-dimethyl-2,3,4-pentanetriol
- 3-Ethyl-2,4-dimethylpentane-2,3,4-triol
- CID 102249549
- 2,3,4-Pentanetriol, 3-ethyl-2,4-dimethyl-
-
- Inchi： 1S/C9H20O3/c1-6-9(12,7(2,3)10)8(4,5)11/h10-12H,6H2,1-5H3
- InChI Key： UWTWIMGVGHIDEU-UHFFFAOYSA-N
- SMILES： OC(CC)(C(C)(C)O)C(C)(C)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 147
- Topological Polar Surface Area: 60.7
Experimental Properties
- Density: 1.038±0.06 g/cm3(Predicted)
- Melting Point: 79.5-80 °C(Solv: ligroine (8032-32-4))
- Boiling Point: 132 °C(Press: 15 Torr)
- pka: 14.83±0.29(Predicted)
2,3,4-Pentanetriol, 3-ethyl-2,4-dimethyl- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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