Decanoic acid, 2-phenylethyl ester
- Formula: C18H28O2
- Molecular weight: 276.4137
- IUPAC Standard InChI: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
- IUPAC Standard InChIKey: DDMQLUJPAGWJOB-UHFFFAOYSA-N
- CAS Registry Number: 61810-55-7
- 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: Phenethyl decanoate; 2-Phenylethyl decanoate; Phenylethyl n-decanoate
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Gas Chromatography
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 2012. | Raina, Srivastava, et al., 2001 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 2060.2 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2022. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 2022. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5 | 2053. | Demyttenaere, Sánchez Martínez, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 5C/min => 220C => 10C/min => 240C(5min) |
| Capillary | HP-5MS | 2053. | Demyttenaere, Sánchez Martínez, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 5C/min => 160C => 10C/min => 220C (10min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2540. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Raina, Srivastava, et al., 2001
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S.,
Essential oil composition of Cinnamomum zeylanicum Blume leaves from Little Andaman, India,
Flavour Fragr. J., 2001, 16, 5, 374-376, https://doi.org/10.1002/ffj.1016
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Tohar, Mohd, et al., 2006
Tohar, N.; Mohd, M.A.; Jantan, I.; Awang, K.,
A comparative study of the essential oils of the genus Plumeria Linn. from Malaysia,
Flavour Fragr. J., 2006, 21, 6, 859-863, https://doi.org/10.1002/ffj.1617
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demyttenaere, Sánchez Martínez, et al., 2003
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Verhé, R.; Sandra, P.; de Kimpe, N.,
Analysis of volatiles of malt whisky by solid-phase microextraction and stir bar sorptive extraction,
J. Chromatogr. A, 2003, 985, 1-2, 221-232, https://doi.org/10.1016/S0021-9673(02)01471-1
. [all data]
Demyttenaere, Sánchez Martínez, et al., 2002
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Téllez Valdés, M.J.; Verhé, R.; Sandra, P.,
Analysis of volatile esters of malt whisky using solid phase microextraction and dynamic headspace
in 25th International Symposium on Capillary Chromatography, 2002, 1-13. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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