Propanoic acid, 2-methyl-, hexyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
- IUPAC Standard InChIKey: CYHBDKTZDLSRMY-UHFFFAOYSA-N
- CAS Registry Number: 2349-07-7
- 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: Isobutyric acid, hexyl ester; n-Hexyl isobutyrate; Hexyl isobutyrate; 1-Hexyl isobutyrate; Hexyl isobutanoate; n-Hexyl isobutanoate; Hexyl 2-methylpropanoate; Hexyl 2-methylpropionate; NSC 46108; Hexyl alcohol, 2-methylpropionate
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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 | RTX-5 | RTX-5 | HP-5 |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 45. | 45. | 40. |
| Tend (C) | 250. | 260. | 250. | 250. | 280. |
| Heat rate (K/min) | 5. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 6. | 6. | 4. | ||
| Final hold (min) | 10. | ||||
| I | 1132. | 1150. | 1150. | 1156. | 1151. |
| Reference | Sonboli, Azizian, et al., 2007 | Javidnia, Miri, et al., 2005 | Shellie, Mondello, et al., 2002 | Shellie, Mondello, et al., 2002 | Ruther, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | CP Sil 5 CB |
| Column length (m) | 25. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.22 |
| Phase thickness (μm) | |
| Tstart (C) | 70. |
| Tend (C) | 205. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1134. |
| Reference | Hendriks and Bruins, 1983 |
| 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.
Sonboli, Azizian, et al., 2007
Sonboli, A.; Azizian, D.; Yousefzadi, M.; Kanani, M.R.; Mehrabian, A.R.,
Volatile constituents and antimicrobial activity of the essential oil of Tetrataenium lasiopetalum (Apiaceae) from Iran,
Flavour Fragr. J., 2007, 22, 2, 119-122, https://doi.org/10.1002/ffj.1767
. [all data]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Jamalian, A.,
Composition of the essential oil of Salvia macrosiphon Boiss. from Iran,
Flavour Fragr. J., 2005, 20, 5, 542-543, https://doi.org/10.1002/ffj.1468
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [all data]
Ruther, 2000
Ruther, J.,
Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 890, 2, 313-319, https://doi.org/10.1016/S0021-9673(00)00618-X
. [all data]
Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P.,
A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices,
Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607
. [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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