Nonanoic acid, methyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChIKey: IJXHLVMUNBOGRR-UHFFFAOYSA-N
- CAS Registry Number: 1731-84-6
- 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-nonanoate; Methyl nonanoate; Methyl nonylate; Methyl pelargonate; Pelargonic acid methyl ester; Methyl ester of nonanoic acid; Methyl ester nonanoic 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 | HP-5 | HP-5MS | SPB-1 | RTX-5 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 30. | 60. | 40. | 60. |
Tend (C) | 240. | 260. | 285. | 200. | 150. |
Heat rate (K/min) | 4. | 2. | 4.3 | 3. | 1. |
Initial hold (min) | 2. | 2. | 10. | 3. | |
Final hold (min) | 10. | 28. | |||
I | 1224. | 1227.3 | 1225. | 1207. | 1226. |
Reference | Pino, Marquez, et al., 2010 | Leffingwell and Alford, 2005 | Tesevic, Nikicevic, et al., 2005 | Vichi, Castellote, et al., 2003 | Kovacevic and Kac, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | RTX-5 | DB-1 | Ultra-1 | DB-1 |
Column length (m) | 25. | 30. | 30. | 25. | 60. |
Carrier gas | N2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.11 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 60. | 70. | 80. | 30. |
Tend (C) | 190. | 150. | 300. | 260. | 210. |
Heat rate (K/min) | 2.5 | 1. | 3. | 3. | 2. |
Initial hold (min) | 3. | 3. | 5. | 4. | |
Final hold (min) | 1. | ||||
I | 1209. | 1226. | 1205. | 1206. | 1207. |
Reference | Kovacevic and Kac, 2001 | Kovacevic and Kac, 2001 | Guy and Vernin, 1996 | Okumura, 1991 | Takeoka and Butter, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | DB-1 | OV-101 | OV-101 |
Column length (m) | 60. | 50. | 50. | 50. |
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | ||||
Tstart (C) | 30. | 0. | 40. | 50. |
Tend (C) | 210. | 250. | 225. | 225. |
Heat rate (K/min) | 2. | 3. | 4. | 4. |
Initial hold (min) | 4. | 0.1 | 0.1 | |
Final hold (min) | 30. | 30. | ||
I | 1207. | 1206. | 1207. | 1206. |
Reference | Takeoka and Butter, 1989 | Habu, Flath, et al., 1985 | Stern, Flath, et al., 1985 | Stern, Flath, et al., 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M.,
Volatile components from old plum brandies,
Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]
Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6
. [all data]
Kovacevic and Kac, 2002
Kovacevic, N.; Kac, M.,
Analytical, nutritional, and clinical methods section. Determination and verification of hop varieties by analysis of essential oils,
Food Chem., 2002, 77, 4, 489-494, https://doi.org/10.1016/S0308-8146(02)00114-0
. [all data]
Kovacevic and Kac, 2001
Kovacevic, M.; Kac, M.,
Solid-phase microextraction of hop volatiles potential use for determination and verification of hop varieties,
J. Chromatogr. A, 2001, 918, 1, 159-167, https://doi.org/10.1016/S0021-9673(01)00719-1
. [all data]
Guy and Vernin, 1996
Guy, I.; Vernin, G.,
Minor compounds from Cistus ladaniferus L. essential oil from esterel. 2. Acids and phenols,
J. Essent. Oil Res., 1996, 8, 4, 455-462, https://doi.org/10.1080/10412905.1996.9700666
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Stern, Flath, et al., 1985
Stern, D.J.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Lundin, R.E.; Benson, M.E.,
Crude oleic acid volatiles,
J. Agric. Food Chem., 1985, 33, 2, 180-184, https://doi.org/10.1021/jf00062a005
. [all data]
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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