Octanoic acid, 2-propenyl ester
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
- IUPAC Standard InChIKey: PZGMUSDNQDCNAG-UHFFFAOYSA-N
- CAS Registry Number: 4230-97-1
- 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: Allyl caprylate; Allyl octanoate; Octanoic acid, allyl ester; Allyl n-octanoate
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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 | Packed |
|---|---|---|---|
| Active phase | ZB-Wax | AT-Wax | Carbowax 20M |
| Column length (m) | 60. | 60. | |
| Carrier gas | He | He | |
| Substrate | Celite 545 | ||
| Column diameter (mm) | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 60. | 65. | 75. |
| Tend (C) | 240. | 250. | 228. |
| Heat rate (K/min) | 3. | 2. | 4.6 |
| Initial hold (min) | 10. | ||
| Final hold (min) | 60. | ||
| I | 1571. | 1559. | 1566. |
| Reference | Herbrand K., Hammerschmidt F.J., et al., 2007 | Pino, Almora, et al., 2003 | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI | MSDC-RI | 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.
Herbrand K., Hammerschmidt F.J., et al., 2007
Herbrand K.; Hammerschmidt F.J.; Brennecke S.; Liebig M.; Losing G.; Schmidt C.O.; Gatfield I.; Krammer G.; Bertram H.J.,
Identification of allyl esters in garlic cheese,
J. Agric. Food Chem., 2007, 55, 19, 7874-7878, https://doi.org/10.1021/jf0713096
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [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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