Cyclohexanecarboxylic acid, methyl ester
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChI: InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
- IUPAC Standard InChIKey: ZQWPRMPSCMSAJU-UHFFFAOYSA-N
- CAS Registry Number: 4630-82-4
- 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: Hexahydrobenzoic acid methyl ester; Methyl cyclohexanecarboxylate; Methyl cyclohexanoate; Methyl cyclohexylcarboxylate; Methyl ester of cyclohexanecarboxylic acid; c-C6H11COOCH3
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 160. | 1005.17 | Mijin and Antonovic, 2006 | 30. m/0.256 mm/0.25 μm, N2 |
| Capillary | DB-5 | 160. | 1009.57 | Mijin and Antonovic, 2006 | 60. m/0.321 mm/0.25 μm, N2 |
| Packed | SE-30 | 120. | 1051. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
| Packed | SE-30 | 140. | 1056. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
| Packed | Squalane | 120. | 1005. | Schomburg, 1964 | |
| Packed | Squalane | 150. | 1011. | Schomburg, 1964 | |
| Packed | Squalane | 150. | 1011. | Schomburg, 1964 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 120. | 1385. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
| Packed | Carbowax 20M | 140. | 1399. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
| Packed | Carbowax 20M | 160. | 1414. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1050. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1057. | Reiners and Grosch, 1998 | 30. m/0.32 mm/0.25 μm; Program: 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1373. | Reiners and Grosch, 1998 | 25. m/0.32 mm/0.3 μm; Program: 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C |
| Capillary | DB-Wax | 1384. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mijin and Antonovic, 2006
Mijin, D.; Antonovic, D.G.,
The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns,
J. Serb. Chem. Soc., 2006, 71, 6, 629-637, https://doi.org/10.2298/JSC0606629M
. [all data]
Pascal, Heintz, et al., 1974
Pascal, J.C.; Heintz, M.; Druilhe, A.; Lefort, D.,
Relations entre structure chimique et grandeurs de rétention. III. Stéréoisomères cyclohexaniques,
Chromatographia, 1974, 7, 5, 236-245, https://doi.org/10.1007/BF02321774
. [all data]
Schomburg, 1964
Schomburg, G.,
Gas-Chromatographische Retentionsdaten und Struktur Chemischer Verbindungen. I. Verzweigte Aliphatische und Alicyclische Carbonsäure-Methylester,
J. Chromatogr., 1964, 14, 157-177, https://doi.org/10.1016/S0021-9673(00)86608-X
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Reiners and Grosch, 1998
Reiners, J.; Grosch, W.,
Odorants of virgin olive oils with different flavor profiles,
J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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