Cas no 66793-92-8 (3-hexanol, 2,4,4-trimethyl-)
3-hexanol, 2,4,4-trimethyl- structure
Product Name:3-hexanol, 2,4,4-trimethyl-
3-hexanol, 2,4,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-hexanol, 2,4,4-trimethyl-
- 2,4,4-trimethylhexan-3-ol
- 2,4,4-TRIMETHYL-3-HEXANOL
- 2,4,4-trimethyl-hexan-3-ol
- SCHEMBL10773007
- DTXSID00334892
- 66793-92-8
-
- Inchi： 1S/C9H20O/c1-6-9(4,5)8(10)7(2)3/h7-8,10H,6H2,1-5H3
- InChI Key： PDIVDRVTPZNRDZ-UHFFFAOYSA-N
- SMILES： OC(C(C)C)C(C)(C)CC
Computed Properties
- Exact Mass: 144.1515
- Monoisotopic Mass: 144.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 94.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3-hexanol, 2,4,4-trimethyl- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
66793-92-8 (3-hexanol, 2,4,4-trimethyl-) Related Products
- 19549-72-5(2,4-Dimethyl-3-heptanol)
- 1838-73-9(3-Methyl-4-heptanol)
- 617-29-8(2-Methyl-3-hexanol)
- 19550-07-3(2,5-Dimethyl-3-hexanol)
- 19780-39-3(3-Ethyl-2-heptanol)
- 16844-71-6(Epifriedelanol)
- 18720-62-2(2-Methyl-3-heptanol)
- 14979-39-6(4-Methyl-3-heptanol)
- 4209-90-9(2,2-Dimethyl-3-hexanol)
- 144-19-4(2,2,4-Trimethyl-1,3-pentanediol)
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