Musk ketone
- Formula: C14H18N2O5
- Molecular weight: 294.3031
- IUPAC Standard InChI: InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
- IUPAC Standard InChIKey: WXCMHFPAUCOJIG-UHFFFAOYSA-N
- CAS Registry Number: 81-14-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-; 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone; Ketone Moschus; Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-; 2,6-Dinitro-3,5-dimethyl-4-acetyl-tertbutylbenzene; 4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone; 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone; 1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene; 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone; 4-t-Butyl-2,6-dimethyl-3,5-dinitroacetophenone; 4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone; Ketone musk; 3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone; 2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone; NSC 15339; 2,6-Dimethyl-3,5-dinitro-4-tert-butylacetophenone
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1942.8 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1922.2 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-1 | 1925.0 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Chang, Sheng, et al., 1989
Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K.,
Retention index of essential oil in temperature-programmed capillary column gas chromatography,
Acta Pharm. Sin., 1989, 24, 11, 847-852. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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