Cas no 59472-06-9 (1-hydroperoxy-4-methyl-pentan-2-one)
59472-06-9 structure
Product Name:1-hydroperoxy-4-methyl-pentan-2-one
CAS No:59472-06-9
MF:C6H12O3
MW:132.157682418823
CID:378570
PubChem ID:101063
Update Time:2025-04-19
1-hydroperoxy-4-methyl-pentan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1-hydroperoxy-4-methyl-pentan-2-one
- 1-Hydroperoxy-4-methylpentan-2-one
- NS00034176
- 2-Pentanone, 1-hydroperoxy-4-methyl-
- EINECS 261-778-7
- UNII-X8TP9CN0XS
- X8TP9CN0XS
- 4-METHYL-2-PENTANONE PEROXIDE
- DTXSID10208176
- 59472-06-9
-
- Inchi： 1S/C6H12O3/c1-5(2)3-6(7)4-9-8/h5,8H,3-4H2,1-2H3
- InChI Key： WIJQJQZZCNTOCF-UHFFFAOYSA-N
- SMILES： O=C(COO)CC(C)C
Computed Properties
- Exact Mass: 132.07866
- Monoisotopic Mass: 132.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 88.3
- 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: 0.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.024
- Boiling Point: 221.1°C at 760 mmHg
- Flash Point: 87.9°C
- Refractive Index: 1.427
- PSA: 46.53
1-hydroperoxy-4-methyl-pentan-2-one Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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