Pentadecanoic acid
- Formula: C15H30O2
- Molecular weight: 242.3975
- IUPAC Standard InChI: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
- IUPAC Standard InChIKey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
- CAS Registry Number: 1002-84-2
- 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: Pentadecylic acid; n-Pentadecanoic acid; n-Pentadecylic acid; Pentadecanoic (Palmitic) acid
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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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | Methylsiloxane + 5 % Ph-groups | HP-5 MS | HP-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Hydrogen | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 70. | 70. | 50. |
| Tend (C) | 260. | 230. | 290. | 290. | 220. |
| Heat rate (K/min) | 4. | 7. | 5. | 5. | 4. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 5. | 20. | 10. | 2. | |
| I | 1867. | 1848. | 1862. | 1862. | 1843. |
| Reference | Miyazawa, Marumoto, et al., 2011 | Nadim, Malik, et al., 2011 | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Xu, Tang, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | HP-5 MS | HP-5 MS | DB-5 | PE-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.17 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 50. | 60. | 100. |
| Tend (C) | 260. | 280. | 230. | 320. | 280. |
| Heat rate (K/min) | 1. | 4. | 4. | 10. | 3. |
| Initial hold (min) | 5. | 4. | 1. | ||
| Final hold (min) | 5. | 10. | 4. | ||
| I | 1845. | 1862. | 1878. | 1856. | 1882. |
| Reference | Wetwiayaklung, Thavanapong, et al., 2009 | Zhao, Zeng, et al., 2009 | Forero, Quijano, et al., 2008 | Smelcerovic, Spiteller, et al., 2007 | Pandey-Rai S., Mallavarapu G.R., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | HP-5 | DB-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | H2 | 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 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 40. | 30. |
| Tend (C) | 250. | 280. | 260. | 250. | 260. |
| Heat rate (K/min) | 4. | 4. | 2. | 4. | 2. |
| Initial hold (min) | 2. | 2. | 5. | 2. | 2. |
| Final hold (min) | 20. | 10. | 20. | 10. | 28. |
| I | 1868. | 1883. | 1865. | 1873. | 1866.2 |
| Reference | Pino, Marquez, et al., 2006 | Pino, Sauri-Duch, et al., 2006 | Senatore, Landolfi, et al., 2006 | Shen X., Gao Y., et al., 2006 | Leffingwell and Alford, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | DB-5 | HP-5 | HP-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 40. | 40. | 60. |
| Tend (C) | 250. | 260. | 250. | 250. | 275. |
| Heat rate (K/min) | 4. | 2. | 5. | 5. | 4. |
| Initial hold (min) | 2. | 5. | 2. | 2. | |
| Final hold (min) | 20. | 20. | 5. | 5. | |
| I | 1881. | 1865. | 1857. | 1857. | 1869. |
| Reference | Pino, Marbot, et al., 2005 | Senatore, Apostolides Arnold, et al., 2005 | N/A | N/A | Ghannadi, Aghazari, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SPB-5 | Optima-1 | Optima-1 | HP-5MS |
| Column length (m) | 30. | 30. | 25. | 25. | 30. |
| Carrier gas | H2 | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 50. | 40. |
| Tend (C) | 280. | 250. | 250. | 250. | 280. |
| Heat rate (K/min) | 4. | 4. | 3. | 3. | 10. |
| Initial hold (min) | 10. | 2. | 3. | 3. | 1. |
| Final hold (min) | 40. | 20. | 20. | ||
| I | 1870. | 1880. | 1858. | 1866. | 1868. |
| Reference | Pino, Marbot, et al., 2003 | Pino, Marbot, et al., 2002 | Brun, Bessière, et al., 2001 | de Beck, Bessière, et al., 2000 | Tkachev, Dobrotvorsky, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Methyl Silicone | HP-1 | Cross-Linked Methylsilicone | DB-5 | Ultra-1 |
| Column length (m) | 50. | 25. | 25. | 60. | 25. |
| Carrier gas | H2 | H2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.17 | 1.0 | 0.25 | |
| Tstart (C) | 40. | 40. | 35. | 40. | 80. |
| Tend (C) | 260. | 260. | 225. | 240. | 260. |
| Heat rate (K/min) | 4. | 3. | 4. | 3. | 3. |
| Initial hold (min) | 0.5 | 5. | 3. | ||
| Final hold (min) | |||||
| I | 1858. | 1848. | 1845. | 1851. | 1861. |
| Reference | Vendramini and Trugo, 2000 | Lopes, Koketsu, et al., 1999 | Bravo and Hotchkiss, 1993 | Berdague, Denoyer, et al., 1991 | Okumura, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SE-54 |
| Column length (m) | 25. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 60. |
| Tend (C) | 260. |
| Heat rate (K/min) | 6. |
| Initial hold (min) | 2. |
| Final hold (min) | |
| I | 1862. |
| Reference | Bestmann, Classen, et al., 1988 |
| Comment | 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.
Miyazawa, Marumoto, et al., 2011
Miyazawa, M.; Marumoto, S.; Kobayashi, T.; Yoshida, S.; Utsumi, Y.,
Determination of characteristic components in essential oils from Wisteria braphybotrys using gas chromatography - olfactometry incremental dilution technique,
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The essential oil composition of Achillea millefolium L. cultivated under tropical conditions in India,
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Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
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Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
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Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
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Wetwiayaklung, Thavanapong, et al., 2009
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Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction,
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Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T.,
Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods,
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Forero, Quijano, et al., 2008
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Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
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Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N.,
Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy,
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Volatile components of leaves and flowers of periwinkle Catharanthus roseus (L.) G. Don from New Delhi,
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Pino, Marquez, et al., 2006
Pino, J.A.; Marquez, E.; Marbot, R.,
Volatile constituents from tea of roselle (Hibiscus sabdariffa L.),
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Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R.,
Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages,
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Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M.,
Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily,
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Shen X., Gao Y., et al., 2006
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Constituents of the essential oil of Rhizoma polygonati,
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Leffingwell and Alford, 2005
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Volatile constituents of Perique tobacco,
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Pino, Marbot, et al., 2005
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Volatile constituents of genipap (Genipa americana L.) fruit from Cuba,
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Senatore, Apostolides Arnold, et al., 2005
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Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon,
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Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
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Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
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retention indices of environmental chemicals on methyl silicone capillary column,
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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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