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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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 107.9 | 323. | ME | Serpinskii, Voitkevich, et al., 1953 | Based on data from 293. to 353. K. See also Jones, 1960. |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference |
|---|---|---|
| 23.81 | 408.5 | Qu, Bai, et al., 2004 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1998. |
| NIST MS number | 291190 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: 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
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Serpinskii, Voitkevich, et al., 1953
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N.Y.,
Zh. Fiz. Khim., 1953, 27, 1032. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Qu, Bai, et al., 2004
Qu, H.; Bai, P.; Yang, Z.; Yu, G.,
Chin. J. Chem. Eng., 2004, 12, 2, 294. [all data]
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
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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