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, 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 | BP-1 | HP-1 | HP-5 | DB-1 | DB-5 |
| Column length (m) | 50. | 25. | 30. | 60. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.2 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | ||
| Tstart (C) | 60. | 60. | 50. | 50. | 80. |
| Tend (C) | 220. | 300. | 200. | 250. | 200. |
| Heat rate (K/min) | 2. | 5. | 4. | 3.5 | 2. |
| Initial hold (min) | 3. | 1. | 5. | ||
| Final hold (min) | 20. | 30. | 30. | ||
| I | 1408. | 1408. | 1455. | 1430. | 1440. |
| Reference | Gonny, Cavaleiro, et al., 2006 | Nath, Baruah, et al., 2006 | Shalit, Katzir, et al., 2001 | Stashenko, Prada, et al., 1996 | Vahirua-Lechat, Menut, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed |
|---|---|
| Active phase | SE-30 |
| Column length (m) | |
| Carrier gas | |
| Substrate | Celite |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 75. |
| Tend (C) | 228. |
| Heat rate (K/min) | |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1422. |
| Reference | van den Dool and Kratz, 1963 |
| Comment | 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.
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]
Nath, Baruah, et al., 2006
Nath, S.C.; Baruah, A.; Kanjilal, P.B.,
Chemical composition of the leaf essential oil of Cinnamomum pauciflorum Nees,
Flavour Fragr. J., 2006, 21, 3, 531-533, https://doi.org/10.1002/ffj.1688
. [all data]
Shalit, Katzir, et al., 2001
Shalit, M.; Katzir, N.; Tadmor, Y.; Larkov, O.; Burger, Y.; Shalekhet, F.; Lastochkin, E.; Ravid, U.; Amar, O.; Edelstein, M.; Karchi, Z.; Lewinsohn, E.,
Acetyl-CoA: alcohol acetyltransferase activity and aroma formation in ripening melon fruits,
J. Agric. Food Chem., 2001, 49, 2, 794-799, https://doi.org/10.1021/jf001075p
. [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]
Vahirua-Lechat, Menut, et al., 1996
Vahirua-Lechat, I.; Menut, C.; Roig, B.; Bessiere, J.M.; Lamaty, G.,
Isoprene related esters, significant components of Pandanus tectorius,
Phytochemistry, 1996, 43, 6, 1277-1279, https://doi.org/10.1016/S0031-9422(96)00386-X
. [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, 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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