Benzoic acid, 2-(methylamino)-, methyl ester
- Formula: C9H11NO2
- Molecular weight: 165.1891
- IUPAC Standard InChIKey: GVOWHGSUZUUUDR-UHFFFAOYSA-N
- CAS Registry Number: 85-91-6
- 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: Anthranilic acid, N-methyl-, methyl ester; Methyl methanthranilate; Methyl methylanthranilate; Methyl o-(methylamino)benzoate; Methyl N-methyl-o-anthranilate; Methyl N-methylanthranilate; N-Methylanthranilic acid, methyl ester; Methyl-2-(N-methylamino)benzoate; 2-Methylaminobenzoic acid methyl ester; Dimethyl anthranilate; Methyl 2-methylaminobenzoate; Methyl m-methylanthranilate; Methyl methylaminobenzoate; N-Methyl methyl anthranilate; 2-Methylaminomethyl benzoate; Benzoic acid, o-(methylamino)-, methyl ester; Me N-methylanthranilate; Me N-methylanthranylate; Methyl benzoate, 2-methylamino; NSC 9406
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | VF-5 MS | VF-5 MS | SLB-5 MS | SLB-5 MS | SLB-5 MS |
Column length (m) | 60. | 60. | 10. | 10. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.10 | 0.10 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.10 | 0.10 | 0.25 |
Tstart (C) | 30. | 30. | 50. | 50. | 50. |
Tend (C) | 260. | 260. | 250. | 250. | 250. |
Heat rate (K/min) | 2. | 2. | 10. | 10. | 3. |
Initial hold (min) | 2. | ||||
Final hold (min) | 28. | 28. | 10. | ||
I | 1412. | 1412. | 1404. | 1408. | 1407. |
Reference | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Scandinaro, Tranchida, et al., 2010 | Scandinaro, Tranchida, et al., 2010 | Lo Presti, Sciarrone, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | BP-1 | BP-1 | SPB-1 |
Column length (m) | 50. | 50. | 60. |
Carrier gas | He | He | |
Substrate | |||
Column diameter (mm) | 0.22 | 0.22 | |
Phase thickness (μm) | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 80. |
Tend (C) | 220. | 230. | 230. |
Heat rate (K/min) | 2. | 2. | 5. |
Initial hold (min) | |||
Final hold (min) | 20. | 35. | |
I | 1385. | 1385. | 1388. |
Reference | Fanciullino, Tomi, et al., 2006 | Lota, de Rocca Serra, et al., 2001 | Thomas and Bassols, 1992 |
Comment | 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.
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L.,
Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures,
LCGC Europe, 2010, 23, 9, 456-464. [all data]
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [all data]
Fanciullino, Tomi, et al., 2006
Fanciullino, A.-L.; Tomi, F.; Luro, F.; Desjobert, J.M.; Casanova, J.,
Chemical variability of peel and leaf oils of mandarins,
Flavour Fragr. J., 2006, 21, 2, 359-367, https://doi.org/10.1002/ffj.1658
. [all data]
Lota, de Rocca Serra, et al., 2001
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of 15 species of mandarins,
Biochem. Syst. Ecol., 2001, 29, 1, 77-104, https://doi.org/10.1016/S0305-1978(00)00029-6
. [all data]
Thomas and Bassols, 1992
Thomas, A.F.; Bassols, F.,
Occurrence of pyridines and other bases in orange oil,
J. Agric. Food Chem., 1992, 40, 11, 2236-2243, https://doi.org/10.1021/jf00023a037
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.