Docosanoic acid, methyl ester
- Formula: C23H46O2
- Molecular weight: 354.6101
- IUPAC Standard InChI: InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
- IUPAC Standard InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N
- CAS Registry Number: 929-77-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Behenic acid, methyl ester; Methyl behenate; Methyl docosanoate; n-Docosanoic acid methyl ester; Kemester 9022; 22:0, Me ester; Methyl behenoate
- 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, 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-5MS | CP Sil 5 CB | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 50. | 30. | 30. | 30. |
| Carrier gas | He | H2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 80. | 40. | 50. | 50. | 50. |
| Tend (C) | 300. | 300. | 300. | 300. | 300. |
| Heat rate (K/min) | 4. | 4. | 5. | 5. | 5. |
| Initial hold (min) | 3. | 2. | 2. | 2. | |
| Final hold (min) | 5. | 5. | 5. | ||
| I | 2530. | 2531. | 2502. | 2511. | 2512. |
| Reference | Zhao C.X., Li, et al., 2006 | Heinrich, Pfeifhofer, et al., 2002 | Johnson, Urso, et al., 1997 | 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 | OV-1 | DB-5 | SE-30 |
| Column length (m) | 25. | 30. | 25. |
| Carrier gas | He | He | H2 |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.26 | 0.28 |
| Phase thickness (μm) | 0.25 | 0.15 | |
| Tstart (C) | 40. | 50. | 140. |
| Tend (C) | 280. | 300. | 280. |
| Heat rate (K/min) | 8. | 6. | 4. |
| Initial hold (min) | 4. | ||
| Final hold (min) | 10. | 20. | |
| I | 2510. | 2531. | 2517. |
| Reference | Tan, Holland, et al., 1988 | Rostad and Pereira, 1986 | Mayr, Lorbeer, et al., 1982 |
| 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.
Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q.,
Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods,
Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008
. [all data]
Heinrich, Pfeifhofer, et al., 2002
Heinrich, G.; Pfeifhofer, H.W.; Stabentheiner, E.; Sawidis, T.,
Glandular hairs of Sigesbeckia jorullensis Kunth (Asteraceae): morphology, histochemistry and composition of essential oil,
Ann. Bot. Rome, 2002, 89, 4, 459-469, retrieved from http://www.aob.oupjournals.org, https://doi.org/10.1093/aob/mcf062
. [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, Holland, et al., 1988
Tan, S.-T.; Holland, P.T.; Wilkins, A.L.; Molan, P.C.,
Extractives from New Zealand honeys. 1. White clovers, manuka, and kanuka unifloral honeys,
J. Agric. Food Chem., 1988, 36, 3, 453-460, https://doi.org/10.1021/jf00081a012
. [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]
Mayr, Lorbeer, et al., 1982
Mayr, M.; Lorbeer, E.; Kratzl, K.,
Gas chromatographic separation of diterpene acids on glass capillary columns of different polarity,
J. Amer. Oil Chem. Soc., 1982, 59, 1, 52-57, https://doi.org/10.1007/BF02670069
. [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
- 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.