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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Van Den Dool and Kratz 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 | ZB-Wax | ZB-Wax | DB-Wax | OV-351 | Supelcowax-10 |
| Column length (m) | 30. | 30. | 30. | 50. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.2 | 0.25 |
| Tstart (C) | 40. | 40. | 50. | 60. | 35. |
| Tend (C) | 250. | 250. | 260. | 220. | 195. |
| Heat rate (K/min) | 5. | 5. | 4. | 5. | 6. |
| Initial hold (min) | 2. | 2. | 5. | ||
| Final hold (min) | 5. | 5. | 5. | 60. | |
| I | 2202. | 2205. | 2223. | 2190. | 2170. |
| Reference | Wu, Zorn, et al., 2007 | Wu, Zorn, et al., 2007 | Selli, Rannou, et al., 2006 | Bonvehí, 2005 | Chung, Fung, et al., 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 | Supelcowax-10 | Supelcowax-10 | AT-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 35. | 35. | 35. | 65. |
| Tend (C) | 250. | 220. | 195. | 195. | 250. |
| Heat rate (K/min) | 5. | 1.8 | 2. | 2. | 2. |
| Initial hold (min) | 2. | 10. | 5. | 5. | 10. |
| Final hold (min) | 5. | 10. | 90. | 90. | 60. |
| I | 2210. | 2213. | 2217. | 2217. | 2191. |
| Reference | Wu, Zorn, et al., 2005 | Ledauphin, Saint-Clair, et al., 2004 | Chung, Yung, et al., 2002 | Chung, Yung, et al., 2001 | Pino, Marbot, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | HP-Wax | Supelcowax-10 | DB-Wax |
| Column length (m) | 60. | 15. | 15. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.53 | 0.53 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 1. | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 40. | 35. | 40. |
| Tend (C) | 230. | 220. | 220. | 195. | 200. |
| Heat rate (K/min) | 2. | 5. | 5. | 2. | 3. |
| Initial hold (min) | 3. | 3. | 5. | 5. | |
| Final hold (min) | 60. | 30. | 30. | 90. | 60. |
| I | 2251. | 2218. | 2223. | 2218. | 2210. |
| Reference | Shimoda, Yoshimura, et al., 2001 | Peng, 2000 | Peng, 2000 | Chung, 1999 | Cha, Kim, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Packed |
|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 60. | 60. | 50. | |
| Carrier gas | He | He | ||
| Substrate | Celite 545 | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 50. | 75. |
| Tend (C) | 230. | 230. | 200. | 228. |
| Heat rate (K/min) | 2. | 2. | 2. | 4.6 |
| Initial hold (min) | 5. | |||
| Final hold (min) | 60. | 60. | 40. | |
| I | 2233. | 2233. | 2171. | 2190. |
| Reference | Shiratsuchi, Shimoda, et al., 1994 | Shiratsuchi, Shimoda, et al., 1994, 2 | Chen, Kuo, et al., 1986 | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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]
Selli, Rannou, et al., 2006
Selli, S.; Rannou, C.; Prost, C.; Robin, J.; Serot, T.,
Characterization of Aroma-Active Compounds in Rainbow Trout (Oncorhynchus mykiss) Eliciting an Off-Odor,
J. Agric. Food Chem., 2006, 54, 25, 9496-9502, https://doi.org/10.1021/jf0619582
. [all data]
Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y
. [all data]
Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S.,
Aroma impact components in commercial plain sufu,
J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d
. [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]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S.,
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry,
Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7
. [all data]
Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Shimoda, Yoshimura, et al., 2001
Shimoda, M.; Yoshimura, Y.; Yoshimura, T.; Noda, K.; Osajima, Y.,
Volatile flavor compounds of sweetened condensed milk,
J. Food Sci., 2001, 66, 6, 804-807, https://doi.org/10.1111/j.1365-2621.2001.tb15176.x
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a
. [all data]
Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991
. [all data]
Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Off-flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014
. [all data]
Shiratsuchi, Shimoda, et al., 1994, 2
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Volatile flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028
. [all data]
Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M.,
Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.),
J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038
. [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, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.