3-Butanone,1-(2,3,6-trimethylphenyl)-
- Formula: C13H18O
- Molecular weight: 190.2814
- IUPAC Standard InChI: InChI=1S/C13H18O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14/h5-6H,7-8H2,1-4H3
- IUPAC Standard InChIKey: YTAQPZUVJBPHEJ-UHFFFAOYSA-N
- CAS Registry Number: 58720-40-4
- 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: 4-(2,3,6-Trimethylphenyl)-2-butanone; 4-(2,3,6-Trimethylphenyl)butan-2-one
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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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
| Column type | Capillary |
|---|---|
| Active phase | BP-1 |
| Column length (m) | 25. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | 0.5 |
| Tstart (C) | 140. |
| Tend (C) | 280. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 10. |
| Final hold (min) | |
| I | 1445. |
| Reference | Strauss, Dimitriadis, et al., 1986 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Strauss, Dimitriadis, et al., 1986
Strauss, C.R.; Dimitriadis, E.; Wilson, B.; Williams, P.J.,
Studies on the hydrolysis of two megastigma-3,6,9-triols rationalizing the origins of some volatile C13 norisoprenoids of vitis vinifera grapes,
J. Agric. Food Chem., 1986, 34, 1, 145-149, https://doi.org/10.1021/jf00067a039
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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