Propane, 2-methoxy-2-methyl-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChI: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
- IUPAC Standard InChIKey: BZLVMXJERCGZMT-UHFFFAOYSA-N
- CAS Registry Number: 1634-04-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Ether, tert-butyl methyl; tert-Butyl methyl ether; Methyl tert-butyl ether; 2-Methoxy-2-methylpropane; 2-Methyl-2-methoxypropane; tert-C4H9OCH3; Methyl t-butyl ether; MTBE; Methyl 1,1-dimethylethyl ether; UN 2398; Driveron; 1,1-Dimethylethyl methyl ether; t-Butyl methyl ether; methyl tert-butyl ether (MTBE)
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Normal alkane RI, non-polar column, custom temperature program
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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | PONA | SPB-1 | DB-1 | DB-1 |
| Column length (m) | 100. | 60. | 60. | 30. | |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.32 | 0.25 | ||
| Phase thickness (μm) | 0.50 | 5. | 0.25 | 1. | |
| Program | not specified | not specified | 40C(6min) => 5C/min => 80C => 10C/min => 200C | not specified | 40C (4min) => 10C/min => 200C => 50C/min => 250C |
| I | 563. | 570. | 560. | 556. | 556. |
| Reference | Vinogradov, 2004 | Perkin Elmer Instruments, 2002 | Flanagan, Streete, et al., 1997 | Ciccioli, Cecinato, et al., 1994 | Schuberth, 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | SPB-1 | CP Sil 8 CB |
| Column length (m) | 60. | 60. | 40. |
| Carrier gas | Helium | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.53 | 0.25 |
| Phase thickness (μm) | 0.25 | 5.0 | 0.25 |
| Program | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C | 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
| I | 556. | 560. | 568. |
| Reference | Ciccioli, Brancaleoni, et al., 1993 | Strete, Ruprah, et al., 1992 | Weller and Wolf, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Perkin Elmer Instruments, 2002
Perkin Elmer Instruments,
Detailed hydrocarbon analysis (DHAX) Model 4015, 2002, retrieved from http://www.perkinelmer.com/instruments. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Schuberth, 1994
Schuberth, J.,
Joint use of retention index and mass spectrum in postmortem tests for volatile organics by headspace capillary gas chromatography with ion-trap detection,
J. Chromatogr. A, 1994, 674, 1-2, 63-71, https://doi.org/10.1016/0021-9673(94)85217-0
. [all data]
Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M.,
Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry,
J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F
. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Weller and Wolf, 1989
Weller, J.-P.; Wolf, M.,
Massenspektroskopie und Headspace-GC,
Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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