Acetic acid, cinnamyl ester
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
- IUPAC Standard InChIKey: WJSDHUCWMSHDCR-UHFFFAOYSA-N
- CAS Registry Number: 103-54-8
- 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. - Stereoisomers:
- Other names: 2-Propen-1-ol, 3-phenyl-, acetate; Cinnamyl alcohol, acetate; γ-Phenylallyl acetate; Cinnamyl acetate; 3-Phenyl-2-propenyl acetate; 3-Phenyl-2-propen-1-yl acetate; 3-Phenyl-2-propen-1-ol acetate; 1-Acetoxy-3-phenyl-2-propene; 2-Propen-1-ol, 3-phenyl-, 1-acetate; 3-Phenylallyl acetate; NSC 46109
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Van Den Dool and Kratz 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 | DB-Wax Etr | BP-20 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 50. | 60. | 25. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.53 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 50. | 50. | 50. |
| Tend (C) | 250. | 220. | 220. | 240. | 180. |
| Heat rate (K/min) | 5. | 2. | 3. | 4. | 2.5 |
| Initial hold (min) | 3. | 3. | 5. | ||
| Final hold (min) | 15. | 20. | |||
| I | 2153. | 2151. | 2150. | 2156. | 2167. |
| Reference | Aubert C. and Pitrat M., 2006 | Gonny, Cavaleiro, et al., 2006 | Brophy, Goldsack, et al., 2000 | Möllenbeck, König, et al., 1997 | Stashenko, Prada, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | |
| Carrier gas | |
| Substrate | Celite 545 |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 75. |
| Tend (C) | 228. |
| Heat rate (K/min) | 4.6 |
| Initial hold (min) | |
| Final hold (min) | |
| I | 2125. |
| Reference | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M.,
Volatile compounds in the skin and pulp of Queen Anne's pocket melon,
J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C.,
Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies,
Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V
. [all data]
Möllenbeck, König, et al., 1997
Möllenbeck, S.; König, T.; Schreier, P.; Schwab, W.; Rajaonarivony, J.; Ranarivelo, L.,
Chemical composition and analyses of enantiomers of essential oils from Madagascar,
Flavour Fragr. J., 1997, 12, 2, 63-69, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<63::AID-FFJ614>3.0.CO;2-Z
. [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]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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