Octanoic acid, methyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChIKey: JGHZJRVDZXSNKQ-UHFFFAOYSA-N
- CAS Registry Number: 111-11-5
- 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: Caprylic acid methyl ester; Methyl caprylate; Methyl n-octanoate; Methyl octanoate; Uniphat A20; n-Caprylic acid methyl ester; Methyl ester of octanoic acid; Methyl ester octanoic acid
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Kovats' RI, polar column, isothermal
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 | Packed |
---|---|---|---|---|---|
Active phase | CP-Wax | DB-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 25. | 25. | 22. | 22. | 2.5 |
Carrier gas | N2 | N2 | |||
Substrate | Embacel | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.3 | 0.3 | |
Phase thickness (μm) | 0.22 | 0.22 | |||
Temperature (C) | 240. | 240. | 100. | 120. | 150. |
I | 1398. | 1437. | 1373. | 1394. | 1413. |
Reference | Hanai and Hong, 1989 | Hanai and Hong, 1989 | Haken and Korhonen, 1984 | Haken and Korhonen, 1984 | ter Heide, de Valois, et al., 1975 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax |
Column length (m) | |
Carrier gas | Ar |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Temperature (C) | 100. |
I | 1421. |
Reference | Schomburg, 1967 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hanai and Hong, 1989
Hanai, T.; Hong, C.,
Structure-retention correlation in CGC,
J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517
. [all data]
Haken and Korhonen, 1984
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXV. Capillary column studies of monochlorinated C5-C18 n-carboxylic esters,
J. Chromatogr., 1984, 298, 89-100, https://doi.org/10.1016/S0021-9673(01)92697-4
. [all data]
ter Heide, de Valois, et al., 1975
ter Heide, R.; de Valois, P.J.; Wobben, H.J.; Timmer, R.,
Analysis of the acid fraction of the reunion geranium oil (Pelargonium graveolens L'Her. ex Ait),
J. Agric. Food Chem., 1975, 23, 1, 57-60, https://doi.org/10.1021/jf60197a010
. [all data]
Schomburg, 1967
Schomburg, G.,
Struktur und Retentionsverhalten von Offenkettigen und Cyclischen Kohlenwasserstoffen und Deren Einfacher Substitutionsprodukte,
Anal. Chim. Acta., 1967, 38, 45-64, https://doi.org/10.1016/S0003-2670(01)80560-2
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, isothermal, References
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