Cas no 4813-50-7 (Hydroperoxide, butyl)
Hydroperoxide, butyl structure
Product Name:Hydroperoxide, butyl
Hydroperoxide, butyl Chemical and Physical Properties
Names and Identifiers
-
- Hydroperoxide, butyl
- 1-hydroperoxybutane
- n-butylhydroperoxide
- Butyl hydroperoxide
- DTXSID30197432
- BUTYLHYDROPEROXIDE, N-
- AKUNSTOMHUXJOZ-UHFFFAOYSA-N
- N-Butyl hydroperoxide
- n-Butylperoxide
- 4813-50-7
- 73GK3R6FNC
- n-C4H9OOH
- UNII-73GK3R6FNC
- CCRIS 4489
- AKOS006279984
-
- Inchi： 1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3
- InChI Key： AKUNSTOMHUXJOZ-UHFFFAOYSA-N
- SMILES： O(CCCC)O
Computed Properties
- Exact Mass: 90.0681
- Monoisotopic Mass: 90.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 3
- Complexity: 21.5
- 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: 0.8
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 0.9017
- Boiling Point: 107.34°C (rough estimate)
- Refractive Index: 1.4042
- PSA: 29.46
Hydroperoxide, butyl Related Literature
-
Thien N. Lieu,Khoa D. Nguyen,Dung T. Le,Thanh Truong,Nam T. S. Phan Catal. Sci. Technol. 2016 6 5916
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2. Oxidation of 2,4-di-t-butylphenol with t-butyl hydroperoxide catalysed by copper(II)–ethylenediamine complexesKeiko Kushioka,Iwao Tanimoto,Kazuhiro Maruyama J. Chem. Soc. Perkin Trans. 2 1989 1303
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3. Decomposition of organic hydroperoxides. Part 4.—The mechanism of the decomposition of tert-butyl hydroperoxide catalyzed by cupric phenanthroline acetateH. Berger,A. F. Bickel Trans. Faraday Soc. 1961 57 1325
-
Denis S. Salnikov,Sergei V. Makarov,Oscar I. Koifman New J. Chem. 2021 45 535
-
5. Decomposition of organic hydroperoxides. Part 5.—Decomposition of tert-butyl hydroperoxide catalyzed by nitriles and baseH. Berger Trans. Faraday Soc. 1962 58 1137
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