Hexanoic acid, 2-phenylethyl ester
- Formula: C14H20O2
- Molecular weight: 220.3074
- IUPAC Standard InChI: InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
- IUPAC Standard InChIKey: BUYNWUMUDHPPDS-UHFFFAOYSA-N
- CAS Registry Number: 6290-37-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Hexanoic acid, phenethyl ester; Phenylethyl caproate; 2-Phenethyl hexanoate; 2-Phenylethyl caproate; Phenethyl hexanoate; Phenylethyl n-hexanoate; 2-Phenylethyl hexanoate; Phenylethyl hexanoate; NSC 6651
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Normal alkane RI, 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 | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 220. | 230. | 230. | 230. | 230. |
| Heat rate (K/min) | 2. | 4. | 4. | 6. | 4. |
| Initial hold (min) | 2. | 2. | 2. | 2. | |
| Final hold (min) | 20. | 15. | 15. | 15. | 5. |
| I | 2166. | 2160. | 2160. | 2165. | 2165. |
| Reference | Boti, Muselli, et al., 2006 | Fan and Qian, 2006 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 | Fan and Qian, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | TC-Wax |
| Column length (m) | 60. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 80. |
| Tend (C) | 240. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 5. |
| Final hold (min) | |
| I | 2178. |
| Reference | Shuichi, Masazumi, et al., 1996 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
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]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Notes
Go To: Top, Normal alkane 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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