Butalbital
- Formula: C11H16N2O3
- Molecular weight: 224.2563
- IUPAC Standard InChI: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
- IUPAC Standard InChIKey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N
- CAS Registry Number: 77-26-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-; Barbituric acid, 5-allyl-5-isobutyl-; Alisobumal; Allylbarbital; Allylbarbitone; Allylisobutylbarbital; Allylisobutylbarbituric acid; Butalbarbital; Isobutylallylbarbituric acid; Isobutylallylbarturic acid; Itobarbital; Optalidon; Sandoptal; Tetrallobarbital; 5-Allyl-5-(2-methylpropyl)barbituric acid; 5-Allyl-5-isobutylbarbituric acid; Allylbarbituric acid; 5-Allyl-5-(2'-methyl-n-propyl) barbituric acid; Profundal; 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione; Axotal; Fiorinal; Axocet
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Packed |
|---|---|---|---|---|
| Active phase | BP-1 | DB-1 | DB-1 | OV-1 |
| Column length (m) | 10. | 15. | 2. | |
| Carrier gas | He | He | ||
| Substrate | Gas Chrom P | |||
| Column diameter (mm) | 0.53 | 0.25 | ||
| Phase thickness (μm) | 2.65 | 0.25 | ||
| Tstart (C) | 100. | 130. | 130. | 120. |
| Tend (C) | 300. | 230. | 290. | 200. |
| Heat rate (K/min) | 5. | 10. | 2.5 | |
| Initial hold (min) | 1. | |||
| Final hold (min) | 10. | |||
| I | 1642. | 1632. | 1643. | 1685. |
| Reference | MHA, 9999 | Anderson and Fuller, 1987 | Sharp, 1987 | Marozzi, Gambaro, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Anderson and Fuller, 1987
Anderson, W.H.; Fuller, D.C.,
A simplified procedure for the isolation, characterization, and identification of weak acid and neutral drugs from whole blood,
J. Anal. Toxicol., 1987, 11, 5, 198-204, https://doi.org/10.1093/jat/11.5.198
. [all data]
Sharp, 1987
Sharp, M.E.,
A rapid screening procedure for acidic and neutral drugs in blood by high resolution gas chromatography,
J. Anal. Toxicol., 1987, 11, 1, 8-11, https://doi.org/10.1093/jat/11.1.8
. [all data]
Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F.,
Use of the retention index in gas chromatographic studies of drugs,
J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185
. [all data]
Notes
Go To: Top, Normal alkane 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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