Cas no 7493-58-5 (2,3-Pentanedione,4-methyl-)
2,3-Pentanedione,4-methyl- structure
Product Name:2,3-Pentanedione,4-methyl-
CAS No:7493-58-5
MF:C6H10O2
MW:114.142402172089
CID:564006
Update Time:2025-04-19
2,3-Pentanedione,4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Pentanedione,4-methyl-
- 4-METHYL-2,3-PENTANEDIONE
- 4-methylpentane-2,3-dione
- 2,3-Pentanedione,4-methyl
- 4-Methyl-pentan-2,3-dion
- 4-methylpentan-2,3-dione
- 4-methyl-pentane-2,3-dione
- Acetyl isobutyryl
- Isopropyl methyl diketone
- Methyl isopropyl diketone
- Methyl-isopropyl-glyoxal
-
- Inchi： 1S/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3
- InChI Key： JENYBWHRLYZSSZ-UHFFFAOYSA-N
- SMILES： CC(C(C(=O)C)=O)C
Computed Properties
- Exact Mass: 114.06800
- Monoisotopic Mass: 114.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 114
- 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
- Topological Polar Surface Area: 34.1
Experimental Properties
- Color/Form: Light yellow to yellow transparent liquid
- Density: 0.934 g/cm3
- Melting Point: - 2.4oC
- Boiling Point: 117.9 °C at 760 mmHg
- Flash Point: 29.3 °C
- Refractive Index: 1.403
- PSA: 34.14000
- LogP: 0.80050
- FEMA: 2730 | 4-METHYL-2,3-PENTANEDIONE
2,3-Pentanedione,4-methyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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