Benzoic acid, methyl ester
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChI: InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
- 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, 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 | BP-20 | Supelcowax-10 | Carbowax 20M | Carbowax 20M | BP-20 |
| Column length (m) | 30. | 60. | 50. | 50. | 25. |
| Carrier gas | N2 | He | H2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.22 | 0.3 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.15 | |||
| Tstart (C) | 60. | 35. | 80. | 70. | 65. |
| Tend (C) | 220. | 200. | 200. | 210. | 180. |
| Heat rate (K/min) | 5. | 3. | 2. | 2. | 12. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | 14. | 20. | |||
| I | 1589. | 1640. | 1608. | 1586. | 1600. |
| Reference | Khan, Verma, et al., 2006 | Wong and Teng, 1994 | Nishimura, Yamaguchi, et al., 1989 | Gaydou, Randriamiharisoa, et al., 1986 | MacLeod and Pieris, 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 50. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.23 | 0.23 |
| Phase thickness (μm) | ||
| Tstart (C) | 80. | 80. |
| Tend (C) | 200. | 200. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1573. | 1574. |
| Reference | Toda, Mihara, et al., 1983 | Toda, Mihara, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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.
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [all data]
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Nishimura, Yamaguchi, et al., 1989
Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T.,
Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree,
J. Agric. Food Chem., 1989, 37, 1, 139-142, https://doi.org/10.1021/jf00085a033
. [all data]
Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P.,
Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar,
J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028
. [all data]
MacLeod and Pieris, 1983
MacLeod, A.J.; Pieris, N.M.,
Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products,
J. Agric. Food Chem., 1983, 31, 5, 1005-1008, https://doi.org/10.1021/jf00119a021
. [all data]
Toda, Mihara, et al., 1983
Toda, H.; Mihara, S.; Umano, K.; Shibamoto, T.,
Photochemical studies on jasmin oil,
J. Agric. Food Chem., 1983, 31, 3, 554-558, https://doi.org/10.1021/jf00117a022
. [all data]
Notes
Go To: Top, Kovats' RI, 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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