Acetic acid, pentyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
- IUPAC Standard InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N
- CAS Registry Number: 628-63-7
- 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. - Isotopologues:
- Other names: n-Amyl acetate; n-Pentyl acetate; Amyl acetate; Birnenoel; Pentyl acetate; Acetic acid, amyl ester; Amyl acetic ester; Amyl acetic ether; Banana oil; Pear oil; Pent-acetate; 1-Pentanol acetate; 1-Pentyl acetate; Acetic acid n-amyl ester; n-Pentyl ethanoate; Acetate d'amyle; Amylazetat; Octan amylu; Pent-acetate 28; Amylester kyseliny octove; Primary amyl acetate; Pentyl ester of acetic acid; Acetic acid, n-pentyl ester; 1-Acetoxypentane; NSC 7923
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Kovats' 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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CBP-20 | DB-Wax | DB-Wax | BP-20 | Carbowax 20M |
| Column length (m) | 25. | 60. | 60. | 25. | 150. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.32 | 0.64 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 40. | 40. | 70. | 50. |
| Tend (C) | 200. | 200. | 200. | 200. | 170. |
| Heat rate (K/min) | 4. | 3. | 3. | 4. | 1. |
| Initial hold (min) | 5. | 5. | 5. | 2. | |
| Final hold (min) | |||||
| I | 1177. | 1175. | 1177. | 1196. | 1170. |
| Reference | Shimadzu, 2003 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 | Wyllie and Leach, 1990 | Buttery, Seifert, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 30. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.26 |
| Phase thickness (μm) | |
| Tstart (C) | 70. |
| Tend (C) | 170. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1160. |
| Reference | Spencer, Pangborn, et al., 1978 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Shimadzu, 2003
Shimadzu,
Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Wyllie and Leach, 1990
Wyllie, S.G.; Leach, D.N.,
Aroma volatiles of Cucumis melo cv. golden crispy,
J. Agric. Food Chem., 1990, 38, 11, 2042-2044, https://doi.org/10.1021/jf00101a008
. [all data]
Buttery, Seifert, et al., 1982
Buttery, R.G.; Seifert, R.M.; Ling, L.C.; Soderstrom, E.L.; Ogawa, J.M.; Turnbaugh, J.G.,
Additional aroma components of honeydew melon,
J. Agric. Food Chem., 1982, 30, 6, 1208-1211, https://doi.org/10.1021/jf00114a051
. [all data]
Spencer, Pangborn, et al., 1978
Spencer, M.D.; Pangborn, R.M.; Jennings, W.G.,
Gas chromatographic and sensory analysis of volatiles from cling peaches,
J. Agric. Food Chem., 1978, 26, 3, 725-732, https://doi.org/10.1021/jf60217a052
. [all data]
Notes
Go To: Top, Kovats' 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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