Reaxys
PubChem
eMolecules
Reactions (44)
Substances (1)
Structure
Citations (53)
Structure/Compound Data Chemical Name: 4-methylhexan-2-one Reaxys Registry Number: 1720360
CAS Registry Number: 105-42-0 Type of Substance: acyclic Molecular Formula: C7H14O Linear Structure Formula: C7H14O Molecular Weight: 114.188 InChI Key: XUPXMIAWKPTZLZ-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions 24 prep out of 44 reactions.
Synthesize | Hide Details Find similar Chemical Names and Synonyms 4-methylhexan-2-one, 3-methyl-5-hexanone, 4-methyl-2-hexanone, 4-methyl-hexan-2-one, (+-)-3-methyl-hexanone-(5), (+-)-4-methyl-hexan-2one, (+-)-4-Methyl-hexan-2-on Identification Substance Label (4) Label
Reference
6
Suerig, Thomas; Gruetzmacher, Hans-Friedrich
Organic Mass Spectrometry, 1990 , vol. 25, # 9 p. 446 - 452 Title/Abstract Full Text Show Details
IIb
Vartanyan, M. M.; Karzhavina, N. P.; Karakhanov, R. A.; Mardashev, Yu. S.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1981 , vol. 30, # 4 p. 693 - 694 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1981 , # 4 p. 912 - 913 Title/Abstract Full Text View citing articles Show Details
Available Data
N° of ref.
Identification Physical Data (33) Spectra (8) Ecological Data (1)
53
24
Kirmse,W. et al.
Chemische Berichte, 1973 , vol. 106, p. 1376 - 1383 Full Text View citing articles Show Details
53
Kletzke,P.G.
Journal of Organic Chemistry, 1964 , vol. 29, p. 1363 - 1366 Full Text View citing articles Show Details
Related Structure (2) Related Structure
Reference
The author investigated the configuration
Richardson, Susan D.; Thruston Jr., Alfred D.; Caughran, Tashia V.; Chen, Paul H.; Collette, Timothy W.; Floyd, Terrance L.; Schenck, Kathleen M.; Lykins Jr., Benjamin W.; Sun, Guang-Ri; Majetich, George
Environmental Science and Technology, 1999 , vol. 33, # 19 p. 3368 - 3377 Title/Abstract Full Text View citing articles Show Details
Ansloos
Journal of Physical Chemistry, 1961 , vol. 65, p. 1616 Full Text View citing articles Show Details
Derivative (9) Comment (Derivative)
Derivative 4-methyl-hexan-2-one Opentafluorophenylmethyl-oxime; 4-methyl-hexan2-one O-pentafluorophenylmethyl-oxime
Richardson, Susan D.; Thruston Jr., Alfred D.; Caughran, Tashia V.; Chen, Paul H.; Collette, Timothy W.; Floyd, Terrance L.; Schenck, Kathleen M.; Lykins Jr., Benjamin W.; Sun, Guang-Ri; Majetich, George
Environmental Science and Technology, 1999 , vol. 33, # 19 p. 3368 - 3377 Title/Abstract Full Text View citing articles Show Details
as 2,4-dinitrophenylhydrazone (mp: 53-55 degree )
Gutmann et al.
Helvetica Chimica Acta, 1959 , vol. 42, p. 719,720,726 Full Text Show Details
as 2,4-dinitrophenylhydrazone (mp: 45-47 degree )
Chiang
J.Chin.chem.Soc., 1951 , vol. 18, p. 65,76 Full Text Show Details
as semicarbazone (mp: 105-106 degree )
Steele; Boese; Dull
Journal of Organic Chemistry, 1949 , vol. 14, p. 468 Full Text Show Details
as semicarbazone (mp: 128-129 degree )
Huston; Bostwick
Journal of Organic Chemistry, 1948 , vol. 13, p. 334 Full Text Show Details
Cymerman; Heilbron; Jones
Journal of the Chemical Society, 1945 , p. 94 Full Text Show Details
as semicarbazone (mp: 119-120 degree )
Cope; Hofmann; Hardy
Journal of the American Chemical Society, 1941 , vol. 63, p. 1855 Full Text Show Details
as semicarbazone (mp: 127-128 degree )
Rhinesmith
Journal of the American Chemical Society, 1936 , vol. 58, p. 597 Full Text Show Details
as semicarbazone (mp: 120-121 degree )
Davies; Dixon; Jones
Journal of the Chemical Society, 1930 , p. 468,470 Full Text Show Details
semicarbazone mp: 106 degree
Suida; Poell
Monatshefte fuer Chemie, 1927 , vol. 48, p. 169,179 Angewandte Chemie, 1927 , vol. 40, p. 506 Full Text Show Details
Physical Data Boiling Point (18) Boiling Point
Pressure (Boiling Point)
Reference
Reference
Kotowska, Urszula; Isidorov, Valery A.
Central European Journal of Chemistry, 2011 , vol. 9, # 5 p. 813 - 824 Title/Abstract Full Text View citing articles Show Details
142 °C
82 °C
140 Torr
Suerig, Thomas; Gruetzmacher, Hans-Friedrich
Organic Mass Spectrometry, 1990 , vol. 25, # 9 p. 446 - 452 Title/Abstract Full Text Show Details
143 - 145 °C
Vartanyan, M. M.; Karzhavina, N. P.; Karakhanov, R. A.; Mardashev, Yu. S.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1981 , vol. 30, # 4 p. 693 694 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1981 , # 4 p. 912 - 913 Title/Abstract Full Text View citing articles Show Details
138 - 140 °C
Castaing et al.
Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1979 , p. 589 Full Text Show Details
140 °C
743 Torr
Brown,H.C.; Kabalka,G.W.
Journal of the American Chemical Society, 1970 , vol. 92, p. 712 - 714 Full Text View citing articles Show Details
Brown,H.C.; Kabalka,G.W.
Journal of the American Chemical Society, 1970 , vol. 92, # 3 p. 714 - 716 Full Text View citing articles Show Details
136.5 °C
745 Torr
Rabilloud,G.
Bulletin de la Societe Chimique de France, 1966 , p. 634 - 639 Full Text View citing articles Show Details
Rouillier,P. et al.
Bulletin de la Societe Chimique de France, 1966 , p. 689 - 697 Full Text View citing articles Show Details
138 - 139 °C
137 - 138 °C
760 Torr
Shuikin,N.I. et al.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1966 , p. 1742 - 1744 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1966 , p. 1807 - 1810 Full Text View citing articles Show Details
Bunina-Kriworukowa; Petrow
J. Gen. Chem. USSR (Engl. Transl.), 1963 , vol. 33, p. 427,421 Full Text Show Details
36 - 38 °C
14 Torr
Matschinskaja; Barchasch
Zhurnal Obshchei Khimii, 1959 , vol. 29, p. 2786,2789 J. Gen. Chem. USSR (Engl. Transl.), 1959 , vol. 29, p. 2750,2752 Full Text Show Details
146 - 147 °C
Chiang
J.Chin.chem.Soc., 1951 , vol. 18, p. 65,70,75 Full Text Show Details
140 - 142 °C
Cymerman; Heilbron; Jones
Journal of the Chemical Society, 1945 , p. 94 Full Text Show Details
137 - 138 °C
Cope; Hofmann; Hardy
Journal of the American Chemical Society, 1941 , vol. 63, p. 1855 Full Text Show Details
69.5 °C
57 Torr
Davies; Dixon; Jones
Journal of the Chemical Society, 1930 , p. 468,470 Full Text Show Details
68 °C
50 Torr
Davies; Dixon; Jones
Journal of the Chemical Society, 1930 , p. 468,470 Full Text Show Details
Suida; Poell
Monatshefte fuer Chemie, 1927 , vol. 48, p. 169,179 Angewandte Chemie, 1927 , vol. 40, p. 506 Full Text Show Details
134 - 137 °C
35 - 37 °C
11 Torr
Suida; Poell
Monatshefte fuer Chemie, 1927 , vol. 48, p. 169,179 Angewandte Chemie, 1927 , vol. 40, p. 506 Full Text Show Details
139 °C
762 Torr
Clarke
Journal of the American Chemical Society, 1908 , vol. 30, p. 1147 Full Text Show Details
146 - 147 °C
762 Torr
Kohler
American Chemical Journal, 1907 , vol. 38, p. 559 American Chemical Journal, 1908 , vol. 40, p. 217 Full Text Show Details
Refractive Index (7) Refractive Index
Wavelength (Refractive Index)
Temperature (Refractive Index)
1.4092
589 nm
20 °C
Cymerman; Heilbron; Jones
Journal of the Chemical Society, 1945 , p. 94 Full Text Show Details
Vartanyan, M. M.; Karzhavina, N. P.; Karakhanov, R. A.; Mardashev, Yu. S.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1981 , vol. 30, # 4 p. 693 - 694 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1981 , # 4 p. 912 - 913 Title/Abstract Full Text View citing articles Show Details
1.4135
589 nm
20 °C
Rabilloud,G.
Bulletin de la Societe Chimique de France, 1966 , p. 634 - 639 Full Text View citing articles Show Details
1.4082
589 nm
20 °C
Shuikin,N.I. et al.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1966 , p. 1742 - 1744 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1966 , p. 1807 - 1810 Full Text View citing articles Show Details
1.4095
589 nm
20 °C
Matschinskaja; Barchasch
Zhurnal Obshchei Khimii, 1959 , vol. 29, p. 2786,2789 J. Gen. Chem. USSR (Engl. Transl.), 1959 , vol. 29, p. 2750,2752 Full Text Show Details
1.4081
589 nm
24 °C
Chiang
J.Chin.chem.Soc., 1951 , vol. 18, p. 65,70,75 Full Text Show Details
1.4089
589 nm
20 °C
Melnikow; Rokitzkaja
Zhurnal Obshchei Khimii, 1940 , vol. 10, p. 1714 Chem. Zentralbl., 1942 , vol. 113, # I p. 31 Full Text Show Details
1.405
589 nm
25 °C
Davies; Dixon; Jones
Journal of the Chemical Society, 1930 , p. 468,470 Full Text Show Details
Reference
Density (5) Density
Reference Temperature
Measurement Temperature
0.8322 g·cm-3
4 °C
20 °C
Rabilloud,G.
Bulletin de la Societe Chimique de France, 1966 , p. 634 - 639 Full Text View citing articles Show Details
0.8139 g·cm-3
4 °C
20 °C
Shuikin,N.I. et al.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1966 , p. 1742 - 1744 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1966 , p. 1807 - 1810 Full Text View citing articles Show Details
0.815 g·cm-3
4 °C
20 °C
Matschinskaja; Barchasch
Zhurnal Obshchei Khimii, 1959 , vol. 29, p. 2786,2789 J. Gen. Chem. USSR (Engl. Transl.), 1959 , vol. 29, p. 2750,2752 Full Text Show Details
0.8125 g·cm-3
4 °C
20 °C
Melnikow; Rokitzkaja
Zhurnal Obshchei Khimii, 1940 , vol. 10, p. 1714 Chem. Zentralbl., 1942 , vol. 113, # I p. 31 Full Text Show Details
-3
Reference
0.8085 g·cm
4 °C
Davies; Dixon; Jones
Journal of the Chemical Society, 1930 , p. 468,470 Full Text Show Details
25 °C
Optical Rotatory Power (2) Type (Optical Rotatory Power)
Optical Rotatory Power
Wavelength (Optical Rotatory Power)
Temperature (Optical Rotatory Power)
[alpha]
6.05 deg
589 nm
20 °C
Kirmse,W. et al.
Chemische Berichte, 1973 , vol. 106, p. 1376 - 1383 Full Text View citing articles Show Details
[alpha]
0.36 deg
589 nm
25 °C
Kretchmer
Journal of Organic Chemistry, 1972 , vol. 37, p. 2747 Full Text View citing articles Show Details
Reference
Solution Behaviour (MCS) (1) Description (Solution Behaviour (MCS))
Comment (Solution Behaviour (MCS))
Reference
Miscibility
mit den gebraeulichen organischen Loesungsmitteln.
Clarke
Journal of the American Chemical Society, 1908 , vol. 30, p. 1147 Full Text Show Details
Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Solvents (NMR Spectroscopy)
Chemical shifts
1H
CDCl3
Reference Vartanyan, M. M.; Karzhavina, N. P.; Karakhanov, R. A.; Mardashev, Yu. S.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1981 , vol. 30, # 4 p. 693 - 694 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1981 , # 4 p. 912 - 913 Title/Abstract Full Text View citing articles Show Details
Castaing et al.
Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (19721999), 1979 , p. 589 Full Text Show Details
NMR
IR Spectroscopy (2) Description (IR Spectroscopy)
Comment (IR Spectroscopy)
Bands
1725 cm**(-1)
Reference Vartanyan, M. M.; Karzhavina, N. P.; Karakhanov, R. A.; Mardashev, Yu. S.
Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1981 , vol. 30, # 4 p. 693 - 694 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1981 , # 4 p. 912 - 913 Title/Abstract Full Text View citing articles Show Details
Bunina-Kriworukowa; Petrow
J. Gen. Chem. USSR (Engl. Transl.), 1963 , vol. 33, p. 427,421 Full Text Show Details
Spectrum
Mass Spectrometry (4) Description (Mass Spectrometry)
Comment (Mass Spectrometry)
Reference
chemical ionization (CI) spectrum
Harrison, A. G.
Journal de Chimie Physique et de Physico-Chimie Biologique, 1993 , vol. 90, # 6 p. 1411 - 1432 Title/Abstract Full Text Show Details
spectrum
Suerig, Thomas; Gruetzmacher, Hans-Friedrich
Organic Mass Spectrometry, 1990 , vol. 25, # 9 p. 446 - 452 Title/Abstract Full Text Show Details
metastable ions
Abbatt, Jonathan A.; Harrison, Alex G.
Organic Mass Spectrometry, 1986 , vol. 21, p. 557 - 564 Title/Abstract Full Text Show Details
spectrum electron impact (EI)
charge exchange with positive ions
Abbatt, Jonathan A.; Harrison, Alex G.
Organic Mass Spectrometry, 1986 , vol. 21, p. 557 - 564 Title/Abstract Full Text Show Details
Ecological Data Exposure Assessment (1) 1 of 1
Exposure
formation in drinking water after ozonation
Sources
organic matter containing in the drinking water taken from Mississippi River near Jefferson Parish, LA, USA
Reference
Richardson, Susan D.; Thruston Jr., Alfred D.; Caughran, Tashia V.; Chen, Paul H.; Collette, Timothy W.; Floyd, Terrance L.; Schenck, Kathleen M.; Lykins Jr., Benjamin W.; Sun, Guang-Ri; Majetich, George
Environmental Science and Technology, 1999 , vol. 33, # 19 p. 3368 - 3377 Title/Abstract Full Text View citing articles Show Details