Benzoic acid, 2-hydroxy-, ethyl ester
- Formula: C9H10O3
- Molecular weight: 166.1739
- IUPAC Standard InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
- IUPAC Standard InChIKey: GYCKQBWUSACYIF-UHFFFAOYSA-N
- CAS Registry Number: 118-61-6
- 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: Salicylic acid, ethyl ester; Ethyl o-hydroxybenzoate; Ethyl salicylate; Ethyl 2-hydroxybenzoate; Mesotol; Sal ethyl; Salotan; o-(Ethoxycarbonyl)phenol; 2-Hydroxybenzoic acid ethyl ester; Salicylic ether; NSC 8209
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Normal alkane 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 | FFAP | FFAP | DB-Wax Etr | FFAP | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | Nitrogen | N2 | He | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 35. | 40. | 40. | 60. |
| Tend (C) | 250. | 320. | 220. | 240. | 220. |
| Heat rate (K/min) | 4. | 4. | 2. | 3. | 3. |
| Initial hold (min) | 5. | 5. | 1. | 5. | |
| Final hold (min) | 45. | 45. | 10. | ||
| I | 1832. | 1832. | 1837. | 1791. | 1786. |
| Reference | Budryn, Nebesny, et al., 2011 | Nebesny, Budryn, et al., 2007 | Perestrelo, Fernandes, et al., 2006 | Ducruet, Fournier, et al., 2001 | Werkhoff, Güntert, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | TC-Wax |
| Column length (m) | 60. | 60. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 60. | 80. |
| Tend (C) | 220. | 240. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | 5. | |
| Final hold (min) | ||
| I | 1786. | 1820. |
| Reference | Werkhoff and Güntert, 1997 | Shuichi, Masazumi, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W.,
HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews,
Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]
Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
. [all data]
Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023
. [all data]
Ducruet, Fournier, et al., 2001
Ducruet, V.; Fournier, N.; Saillard, P.; Feigenbaum, A.; Guichard, E.,
Influence of packaging on the aroma stability of strawberry syrup during shelf life,
J. Agric. Food Chem., 2001, 49, 5, 2290-2297, https://doi.org/10.1021/jf0012796
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Werkhoff and Güntert, 1997
Werkhoff, P.; Güntert, M.,
Identification of some ester compounds in bourbon vanilla beans,
Lebensm. Wiss. Technol., 1997, 30, 4, 429-431, https://doi.org/10.1006/fstl.1996.0194
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Notes
Go To: Top, Normal alkane 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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