Cas no 38836-21-4 (4-Hydroxy-5-methyl-2-hexanone)
4-Hydroxy-5-methyl-2-hexanone structure
Product Name:4-Hydroxy-5-methyl-2-hexanone
4-Hydroxy-5-methyl-2-hexanone Chemical and Physical Properties
Names and Identifiers
-
- 4-Hydroxy-5-methyl-2-hexanone
- 4-hydroxy-5-methylhexan-2-one
- DTXSID80292481
- 5-methyl-4-hydroxy-2-hexanone
- BXQODTBLKZARFD-UHFFFAOYSA-N
- NCIOpen2_001047
- 4-Hydroxy-5-methyl-2-hexanone #
- 2-Hexanone, 4-hydroxy-5-methyl-
- NSC-83147
- NSC83147
- 38836-21-4
- SCHEMBL3912069
-
- Inchi: 1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3
- InChI Key: BXQODTBLKZARFD-UHFFFAOYSA-N
- SMILES: OC(CC(C)=O)C(C)C
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 97.1
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.933
- Boiling Point: 199.5°C at 760 mmHg
- Flash Point: 78°C
- Refractive Index: 1.429
- PSA: 37.3
4-Hydroxy-5-methyl-2-hexanone Related Literature
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András Gurka,Imre Bucsi,Lenke Kovács,Gy?rgy Sz?ll?si,Mihály Bartók RSC Adv. 2014 4 61611
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Laura Grauso,Roberta Teta,Germana Esposito,Marialuisa Menna,Alfonso Mangoni Nat. Prod. Rep. 2019 36 1005
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3. Chiral α-sulphinyl hydrazones as effective reagents for stereoselective aldol-type condensationRita Annunziata,Franco Cozzi,Mauro Cinquini,Lino Colombo,Cesare Gennari,Giovanni Poli,Carlo Scolastico J. Chem. Soc. Perkin Trans. 1 1985 251
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