Hexadecanoic acid, methyl ester
- Formula: C17H34O2
- Molecular weight: 270.4507
- IUPAC Standard InChI: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
- IUPAC Standard InChIKey: FLIACVVOZYBSBS-UHFFFAOYSA-N
- CAS Registry Number: 112-39-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Palmitic acid, methyl ester; n-Hexadecanoic acid methyl ester; Metholene 2216; Methyl hexadecanoate; Methyl n-hexadecanoate; Methyl palmitate; Uniphat A60; Emery 2216; Radia 7120; Acide hexadecanoique methyl ester
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Normal alkane RI, 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-20M | HP-20M | HP-Innowax | DB-Wax | TC-FFAP |
| Column length (m) | 50. | 50. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Nitrogen | He | He |
| 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 | 0.4 |
| Tstart (C) | 70. | 70. | 50. | 60. | 60. |
| Tend (C) | 180. | 180. | 280. | 180. | 220. |
| Heat rate (K/min) | 4. | 4. | 5. | 3. | 3. |
| Initial hold (min) | 4. | 4. | 1. | 8. | |
| Final hold (min) | 1. | 80. | 30. | ||
| I | 2170. | 2182. | 2218. | 2245. | 2226. |
| Reference | Blazevic and Mastelic, 2008 | Blazevic and Mastelic, 2008 | Bousaada, Ammar, et al., 2008 | Wei A. and Shibamoto T., 2007 | Kurose and Yatagai, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-Wax | ZB-Wax | ZB-Wax | ZB-Wax | ZB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 250. | 250. | 250. | 250. | 250. |
| 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 | 2198. | 2198. | 2202. | 2202. | 2205. |
| Reference | N/A | N/A | N/A | N/A | N/A |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-Wax | DB-Wax | TC-Wax | TC-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | N2 | He | Nitrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 40. | 70. | 80. | 80. | 40. |
| Tend (C) | 250. | 230. | 250. | 240. | 200. |
| Heat rate (K/min) | 5. | 2. | 4. | 3. | 2. |
| Initial hold (min) | 2. | 2. | 10. | ||
| Final hold (min) | 10. | 20. | 30. | ||
| I | 2198. | 2220. | 2213. | 2198. | 2225. |
| Reference | Wu, Krings, et al., 2005 | Choi, 2004 | Miyazawa and Okuno, 2003 | Miyazawa, Yamafuji, et al., 2003 | Tamura, Boonbumrung, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | TC-Wax | PEG-20M | DB-Wax | PEG-20M |
| Column length (m) | 50. | 60. | 50. | 60. | 50. |
| Carrier gas | Nitrogen | He | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.15 | |||
| Tstart (C) | 60. | 80. | 60. | 60. | 60. |
| Tend (C) | 180. | 240. | 180. | 220. | 180. |
| Heat rate (K/min) | 2. | 3. | 2. | 3. | 2. |
| Initial hold (min) | 5. | 4. | 4. | ||
| Final hold (min) | |||||
| I | 2178. | 2210. | 2180. | 2254. | 2203. |
| Reference | Kubota, Matsujage, et al., 1996 | Shuichi, Masazumi, et al., 1996 | Togari, Kobayashi, et al., 1995 | Chung, Eiserich, et al., 1993 | Kubota, Nakamoto, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Blazevic and Mastelic, 2008
Blazevic, I.; Mastelic, J.,
Free and bounded volatiles of rocket (Eruca sativa Mill.),
Fravour Fragr. J., 2008, 23, 4, 278-285, https://doi.org/10.1002/ffj.1883
. [all data]
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Wei A. and Shibamoto T., 2007
Wei A.; Shibamoto T.,
Antioxidant activities and volatile constituents of various essential oils,
J. Agric. Food Chem., 2007, 55, 5, 1737-1742, https://doi.org/10.1021/jf062959x
. [all data]
Kurose and Yatagai, 2005
Kurose, K.; Yatagai, M.,
Components of the essential oils of Azadirachta indica A. Juss, Azadirachta siamensis Velton, and Azadirachta excelsa (Jack) Jacobs and their comparison,
J. Wood Sci., 2005, 51, 2, 185-188, https://doi.org/10.1007/s10086-004-0640-4
. [all data]
Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G.,
Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr.,
Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y.,
Volatile components from the roots of Scrophularia ningpoensis Hemsl.,
Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232
. [all data]
Miyazawa, Yamafuji, et al., 2003
Miyazawa, M.; Yamafuji, C.; Kurose, K.; Ishikawa, Y.,
Volatile components of the rhizomes of Cirsium japonicum DC,
Flavour Fragr. J., 2003, 18, 1, 15-17, https://doi.org/10.1002/ffj.1135
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Kubota, Matsujage, et al., 1996
Kubota, K.; Matsujage, Y.; Sekiwa, Y.; Kobayashi, A.,
Identification of the characteristic volatile flavor compounds formed by cooking squid (Todarodes pacificus Steenstrup),
Food Sci. Technol., 1996, 2, 3, 163-166. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T.,
Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
Food Res. Int., 1995, 28, 5, 495-502, https://doi.org/10.1016/0963-9969(95)00029-1
. [all data]
Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds identified in headspace samples of peanut oil heated under temperatures ranging from 50 to 200 °C,
J. Agric. Food Chem., 1993, 41, 9, 1467-1470, https://doi.org/10.1021/jf00033a022
. [all data]
Kubota, Nakamoto, et al., 1991
Kubota, K.; Nakamoto, A.; Moriguchi, M.; Kobayashi, A.; Ishii, H.,
Formation of pyrrolidino[1,2-e]-4H-2,4-dimethyl-1,3,5-dithiazine in the volatiles of boiled short-necked clam, clam, and corbicula,
J. Agric. Food Chem., 1991, 39, 6, 1127-1130, https://doi.org/10.1021/jf00006a027
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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