1,3-Cyclohexanedione, 5,5-dimethyl-
- Formula: C8H12O2
- Molecular weight: 140.1797
- IUPAC Standard InChI: InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
- IUPAC Standard InChIKey: BADXJIPKFRBFOT-UHFFFAOYSA-N
- CAS Registry Number: 126-81-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Cyclomethone; Dimedon; Dimedone; Lu 274; Medon; Methon; Methone; 1,1-Dimethyl-3,5-cyclohexanedione; 1,1-Dimethyl-3,5-diketocyclohexane; 5,5-Dimethyl-1,3-cyclohexanedione; 5,5-Dimethyldihydroresorcinol; 5,5-Dimethylhydroresorcinol; 5,5-Dimethylcyclohexane-1,3-dione; 5,5-Dimethyl-1,3-cyclohexadione; 5,5-Dimethyl-1,3-dihydroresorcinol; NSC 14984
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Gas phase thermochemistry data
Go To: Top, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -91.68 ± 0.45 | kcal/mol | Ccb | Pilcher, Parchment, et al., 1993 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLID (NUJOL MULL); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (2% IN CHCl3) VS SOLVENT; BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Timmons, 1966 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 19945 |
| Instrument | Unicam SP 700 |
| Melting point | 147-149 |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1101. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1176. | Ventanas, Estevez, et al., 2008 | 50. m/0.32 mm/1.05 μm, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pilcher, Parchment, et al., 1993
Pilcher, G.; Parchment, O.G.; Hillier, I.H.; Heatley, F.; Fletcher, D.; Ribeiro da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Monte, J.S.; Jiye, F.,
Thermochemical and theoretical studies on cyclohexanediones,
J. Phys. Chem., 1993, 97, 243-247. [all data]
Timmons, 1966
Timmons, C.J.,
UV atlas of organic compounds, 1966, 1, B5/3. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J.,
Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED,
Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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