Pentadecanoic acid, methyl ester
- Formula: C16H32O2
- Molecular weight: 256.4241
- IUPAC Standard InChI: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
- IUPAC Standard InChIKey: XIUXKAZJZFLLDQ-UHFFFAOYSA-N
- CAS Registry Number: 7132-64-1
- 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: Methyl n-pentadecanoate; Methyl pentadecanoate; n-Pentadecanoic acid methyl ester; 25:0, Me 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-5 | DB-5 | DB-5 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 50. | 50. |
| Tend (C) | 250. | 250. | 250. | 300. | 300. |
| Heat rate (K/min) | 5. | 5. | 5. | 5. | 5. |
| Initial hold (min) | 2. | 2. | 2. | 2. | 2. |
| Final hold (min) | 5. | 5. | 5. | 5. | 5. |
| I | 1820. | 1816. | 1814. | 1807. | 1807. |
| Reference | Wu, Zorn, et al., 2007 | Wu, Zorn, et al., 2007 | Wu, Zorn, et al., 2005 | Johnson, Urso, et al., 1997 | Johnson, Urso, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | BP-1 | DB-5 |
| Column length (m) | 30. | 12. | 30. |
| Carrier gas | H2 | He | |
| Substrate | |||
| Column diameter (mm) | 0.2 | 0.26 | |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 50. | 40. | 50. |
| Tend (C) | 300. | 240. | 300. |
| Heat rate (K/min) | 5. | 4. | 6. |
| Initial hold (min) | 2. | 2. | 4. |
| Final hold (min) | 5. | 75. | 20. |
| I | 1807. | 1808. | 1826. |
| Reference | Johnson, Urso, et al., 1997 | Tan, Wilkins, et al., 1989 | Rostad and Pereira, 1986 |
| 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.
Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica,
Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758
. [all data]
Wu, Zorn, et al., 2005
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
Characteristic Volatiles from Young and Aged Fruiting Bodies of Wild Polyporus sulfureus (Bull.:Fr.) Fr.,
J. Agric. Food Chem., 2005, 53, 11, 4524-4528, https://doi.org/10.1021/jf0478511
. [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]
Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K.,
Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey,
J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004
. [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]
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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