Benzoic acid, methyl ester
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChIKey: QPJVMBTYPHYUOC-UHFFFAOYSA-N
- CAS Registry Number: 93-58-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Methyl benzoate; Clorius; Methyl benzenecarboxylate; Niobe oil; Oil of Niobe; Essence of niobe; Methylester kyseliny benzoove; Oxidate le; UN 2938; Methyl ester of benzoic acid; Oniobe oil; NSC 9394
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Kovats' RI, non-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 | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 40. | 25. | 25. | 25. | 25. |
| Carrier gas | N2 | N2 | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.35 | 0.33 | 0.33 | 0.33 | 0.33 |
| Phase thickness (μm) | 0.35 | ||||
| Temperature (C) | 100. | 160. | 180. | 200. | 160. |
| I | 1077.8 | 1067. | 1064. | 1063. | 1097. |
| Reference | Tudor, 1997 | Korhonen, 1986 | Korhonen, 1986 | Korhonen, 1986 | Korhonen and Lind, 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Packed | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 25. | 25. | 3. | 3.7 | 2. |
| Carrier gas | N2 | N2 | Ar | ||
| Substrate | Gas Chrom Q (80-100 mesh) | Chromosorb W AW DMCS | Gaschrom Q | ||
| Column diameter (mm) | 0.33 | 0.33 | |||
| Phase thickness (μm) | |||||
| Temperature (C) | 180. | 200. | 150. | 200. | 150. |
| I | 1100. | 1101. | 1090. | 1101. | 1095. |
| Reference | Korhonen and Lind, 1985 | Korhonen and Lind, 1985 | Tiess, 1984 | Haken, Hartley, et al., 1983 | Winskowski, 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed | Packed | Packed | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | OV-1 | SE-30 | SE-30 | SE-30 | Apiezon L |
| Column length (m) | 1.5 | 1. | 1. | 1. | 1. |
| Carrier gas | Ar | Ar | Ar | N2 | |
| Substrate | Gaschrom | Chromosorb W AW DMCS HP (80-100 mesh) | Chromosorb W AW DMCS HP (80-100 mesh) | Chromosorb W AW DMCS HP (80-100 mesh) | Celite |
| Column diameter (mm) | |||||
| Phase thickness (μm) | |||||
| Temperature (C) | 150. | 100. | 120. | 140. | 180. |
| I | 1078. | 1081. | 1087. | 1092. | 1109. |
| Reference | Fedoreev and Maksimov, 1977 | Pías and Gascó, 1975 | Pías and Gascó, 1975 | Pías and Gascó, 1975 | Vernon and Edwards, 1975 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 2. |
| Carrier gas | |
| Substrate | Gas Chrom Q |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Temperature (C) | 100. |
| I | 1072. |
| Reference | West and Hall, 1975 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLV. Retention Behaviour of C1-C12 n-Alkyl Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 356, 285-299, https://doi.org/10.1016/S0021-9673(00)91489-4
. [all data]
Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A.,
Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids,
J. Chromatogr., 1985, 322, 83-96, https://doi.org/10.1016/S0021-9673(01)97661-7
. [all data]
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]
Haken, Hartley, et al., 1983
Haken, J.K.; Hartley, H.N.T.; Srisukh, D.,
Retention increments of aromatic esters,
Chromatographia, 1983, 17, 11, 589-596, https://doi.org/10.1007/BF02261941
. [all data]
Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041
. [all data]
Fedoreev and Maksimov, 1977
Fedoreev, S.A.; Maksimov, O.B.,
The study of the composition of aromatic esters by gas-liquid chromatography,
Solid Fuel Chem. (Engl. Transl.), 1977, 17-22. [all data]
Pías and Gascó, 1975
Pías, J.B.; Gascó, L.,
GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols,
J. Chromatogr. - Chrom. Data, 1975, d14-d16. [all data]
Vernon and Edwards, 1975
Vernon, F.; Edwards, G.T.,
Gas-liquid chromatography on fluorinated stationary phases. II. Fluorinated compounds containing a functional group,
J. Chromatogr., 1975, 114, 1, 87-93, https://doi.org/10.1016/S0021-9673(00)85245-0
. [all data]
West and Hall, 1975
West, S.D.; Hall, R.C.,
Substituent contributions to the Kováts retention indices of benzene derivatives,
J. Chromatogr. Sci., 1975, 13, 5-11. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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