Benzoic acid, 2-hydroxy-, phenylmethyl ester
- Formula: C14H12O3
- Molecular weight: 228.2433
- IUPAC Standard InChI: InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
- IUPAC Standard InChIKey: ZCTQGTTXIYCGGC-UHFFFAOYSA-N
- CAS Registry Number: 118-58-1
- 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, benzyl ester; Benzyl o-hydroxybenzoate; Benzyl salicylate; Salicyclic acid benzyl ester; benzyle salicylate
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Van Den Dool and Kratz 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 | DB-5 | HP-5MS | DB-1 | HP-5MS | HP-5MS |
| Column length (m) | 25. | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 80. | 60. | 60. | 60. |
| Tend (C) | 200. | 300. | 180. | 250. | 280. |
| Heat rate (K/min) | 2. | 4. | 3. | 4. | 3. |
| Initial hold (min) | 10. | 2. | |||
| Final hold (min) | 60. | 10. | 20. | ||
| I | 1876. | 1869.8 | 1860. | 1863. | 1869. |
| Reference | Rout, Rao, et al., 2007 | Zhao C.X., Li, et al., 2006 | bin Jantan, Yalvema, et al., 2005 | Pino, Mesa, et al., 2005 | Aligiannis, Kalpoutzakis, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5MS | SE-30 | CP Sil 5 CB | DB-1 |
| Column length (m) | 30. | 30. | 25. | 50. | 60. |
| Carrier gas | N2 | N2 | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.13 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 40. | 50. |
| Tend (C) | 200. | 280. | 180. | 300. | 250. |
| Heat rate (K/min) | 5. | 3. | 3. | 4. | 3.5 |
| Initial hold (min) | 5. | 10. | 5. | ||
| Final hold (min) | 0. | 10. | 10. | ||
| I | 1860. | 1863. | 1830. | 1841. | 1828. |
| Reference | Boyom, Assembe, et al., 2003 | Demetzos, Angelopoulou, et al., 2002 | bin Jantan, Ayop, et al., 2002 | Pfeifhofer, 2000 | Stashenko, Prada, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | DB-1 |
| Column length (m) | 30. | 30. |
| Carrier gas | N2 | N2 |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 150. | 150. |
| Tend (C) | 280. | 280. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1846. | 1846. |
| Reference | Coen, Engel, et al., 1995 | Coen, Engel, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
. [all data]
Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q.,
Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods,
Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008
. [all data]
bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ahmad, N.W.; Jamal, J.A.,
Insecticidal activities of the leaf oils of eight Cinnamomum species against Aedes aegypti and Aedes albopictus,
Pharm. Biol., 2005, 43, 6, 526-532, https://doi.org/10.1080/13880200500220771
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Aligiannis, Kalpoutzakis, et al., 2004
Aligiannis, N.; Kalpoutzakis, E.; Kyriakopoulou, I.; Mitaku, S.; Chinou, I.B.,
Essential oils of Phlomis species growing in Greece: chemical composition and antimicrobial activity,
Flavour Fragr. J., 2004, 19, 4, 320-324, https://doi.org/10.1002/ffj.1305
. [all data]
Boyom, Assembe, et al., 2003
Boyom, F.F.; Assembe, E.Z.; Zollo, P.H.A.; Agnaniet, H.; Menut, C.; Bessière, J.M.,
Aromatic plants of tropical central Africa. Part XLII. Volatile components from Antidesma laciniatum Muell. Arg. Var. laciniatum growing in Cameroon,
Flavour Fragr. J., 2003, 18, 5, 451-453, https://doi.org/10.1002/ffj.1251
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [all data]
bin Jantan, Ayop, et al., 2002
bin Jantan, I.; Ayop, N.; Hiong, A.B.; Ahmad, A.S.,
Chemical composition of the essential oils of Cinnamomum cordatum Kosterm,
Flavour Fragr. J., 2002, 17, 3, 212-214, https://doi.org/10.1002/ffj.1075
. [all data]
Pfeifhofer, 2000
Pfeifhofer, H.W.,
Composition of the essential oil of Pinus canariensis Sweet ex Sprengel,
Flavour Fragr. J., 2000, 15, 4, 266-270, https://doi.org/10.1002/1099-1026(200007/08)15:4<266::AID-FFJ908>3.0.CO;2-E
. [all data]
Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [all data]
Coen, Engel, et al., 1995
Coen, M.; Engel, R.; Nahrstedt, A.,
Chavicol β-D-glucoside, a phenylpropanoid heteroside, benzyl-β-D-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis,
Phytochemistry, 1995, 40, 1, 149-155, https://doi.org/10.1016/0031-9422(95)00241-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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
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