Octanoic acid, 2-phenylethyl ester
- Formula: C16H24O2
- Molecular weight: 248.3606
- IUPAC Standard InChI: InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
- IUPAC Standard InChIKey: ASETYIALRXDVDF-UHFFFAOYSA-N
- CAS Registry Number: 5457-70-5
- 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: Octanoic acid, phenethyl ester; Phenylethyl octanoate; 2-Phenethyl octanoate; 2-Phenylethyl octanoate; Phenethyl octanoate; Phenylethyl n-octanoate; 2-Phenylethyl-n-octanoate; Octanoic acid phenylethyl ester
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Normal alkane RI, non-polar column, temperature ramp
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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 |
|---|---|---|---|---|
| Active phase | HP-5 MS | BP-1 | DB-5 | OV-101 |
| Column length (m) | 30. | 50. | 25. | 50. |
| Carrier gas | Helium | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. |
| Tstart (C) | 50. | 60. | 40. | 100. |
| Tend (C) | 240. | 220. | 280. | 220. |
| Heat rate (K/min) | 4. | 2. | 3. | 1. |
| Initial hold (min) | 2. | 5. | 1. | |
| Final hold (min) | 10. | 20. | 5. | |
| I | 1838. | 1814. | 1847. | 1809. |
| Reference | Pino, Marquez, et al., 2010 | Boti, Muselli, et al., 2006 | Merle, Blázquez, et al., 2002 | Camciuc, Bessière, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Boti, Muselli, et al., 2006
Boti, J.B.; Muselli, A.; Tomi, F.; Koukoua, G.; N'Guessan, T.Y.; Costa, J.; Casanova, J.,
Combined analysis of Cymbopogon giganteus Chiov. leaf oil from Ivory Coast by GC/RI, GC/MS and 13C-NMR,
C.R. Chim., 2006, 9, 1, 164-168, https://doi.org/10.1016/j.crci.2005.10.003
. [all data]
Merle, Blázquez, et al., 2002
Merle, H.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oil of Eriobotrya japonica (Thunb.) Lindl. flowers in the western Mediterranean area
in International Symposium on Loquat, April 11-13, 2002 (CIHEAM-IAMZ, 2003, p. 191-193), Llácer,G.; Badenes,M.L., ed(s)., Centre International de Hautes Etudes Agronomiques Mediterranean, Valencia, Spain, 2002, 191-193. [all data]
Camciuc, Bessière, et al., 1998
Camciuc, M.; Bessière, J.M.; Vilarem, G.; Gaset, A.,
Volatile components in okra seed coat,
Phytochemistry, 1998, 48, 2, 311-315, https://doi.org/10.1016/S0031-9422(97)01127-8
. [all data]
Notes
Go To: Top, Normal alkane 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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