Hexanedioic acid, dimethyl ester
- Formula: C8H14O4
- Molecular weight: 174.1944
- IUPAC Standard InChI: InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
- IUPAC Standard InChIKey: UDSFAEKRVUSQDD-UHFFFAOYSA-N
- CAS Registry Number: 627-93-0
- 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: Adipic acid, dimethyl ester; Dimethyl adipate; Dimethyl hexanedioate; Methyl adipate; 1,6-Dimethylhexanedioate; Dimethyl ester of hexanedioic acid; Hexanedioic acid, methyl ester
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Van Den Dool and Kratz 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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | DB-1 | 5 % Phenyl methyl siloxane | 5 % Phenyl methyl siloxane |
| Column length (m) | 30. | 30. | 30. | 25. | 30. |
| Carrier gas | He | N2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.31 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.31 | 0.5 |
| Tstart (C) | 40. | 60. | 50. | 50. | 50. |
| Tend (C) | 325. | 220. | 300. | 250. | 300. |
| Heat rate (K/min) | 3. | 5. | 5. | 5. | 8. |
| Initial hold (min) | 10. | 2. | 1. | 1. | |
| Final hold (min) | 5. | 10. | 10. | ||
| I | 1208.2 | 1246. | 1206. | 1235. | 1256. |
| Reference | Sun and Stremple, 2003 | Flamini, Cioni, et al., 2002 | Johnson, Urso, et al., 1997 | Guisto, Smith, et al., 1993 | Guisto, Smith, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Packed |
|---|---|---|---|
| Active phase | DB-5 | SE-30 | SE-30 |
| Column length (m) | 30. | ||
| Carrier gas | He | N2 | |
| Substrate | Chromosorb Q | Celite | |
| Column diameter (mm) | 0.26 | ||
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 50. | 100. | 75. |
| Tend (C) | 300. | 340. | 228. |
| Heat rate (K/min) | 6. | 10. | |
| Initial hold (min) | 4. | ||
| Final hold (min) | 20. | ||
| I | 1243. | 1205. | 1213. |
| Reference | Rostad and Pereira, 1986 | Messadi and Vergnaud, 1979 | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI | MSDC-RI | 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.
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I.,
Differences in the fragrances of pollen and different floral parts of male and female flowers of Laurus nobilis,
J. Agric. Food Chem., 2002, 50, 16, 4647-4652, https://doi.org/10.1021/jf020269x
. [all data]
Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L.,
Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]
Guisto, Smith, et al., 1993
Guisto, R.; Smith, S.R.; Stuart, J.D.,
Gas chromatographic retention indices, mass, and infrared spectra of industrially important adipate esters,
J. Chromatogr. Sci., 1993, 31, 6, 225-230, https://doi.org/10.1093/chromsci/31.6.225
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Messadi and Vergnaud, 1979
Messadi, D.; Vergnaud, J.-M.,
Quick identification and analysis of plasticizers in PVC by programmed-temperature gas chromatography using the best stationary phases,
J. Appl. Polym. Sci., 1979, 24, 5, 1215-1225, https://doi.org/10.1002/app.1979.070240507
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [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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