Pentanoic acid, 3-methylbutyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
- IUPAC Standard InChIKey: UBLAMKHIFZBBSS-UHFFFAOYSA-N
- CAS Registry Number: 2050-09-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Valeric acid, 3-methylbutyl ester; iso-Amyl N-valerate; 3-Methylbutyl pentanoate; Isopentyl pentanoate; 3-methylbutyl valerate; Isopentyl valerate
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Normal alkane RI, non-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 | DB-5 | DB-5 | SE-52 | OV-101 | DB-1 |
| Column length (m) | 30. | 30. | 50. | 50. | 30. |
| Carrier gas | He | He | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 1. | 0.25 | |
| Tstart (C) | 40. | 40. | 50. | 100. | 50. |
| Tend (C) | 250. | 250. | 240. | 220. | 240. |
| Heat rate (K/min) | 4. | 4. | 3. | 1. | 3. |
| Initial hold (min) | 2. | 2. | 1. | 5. | |
| Final hold (min) | 15. | 15. | |||
| I | 1152. | 1152. | 1104. | 1138. | 1134. |
| Reference | Fan and Qian, 2006 | Fan and Qian, 2006 | Ozcan, Chalchat, et al., 2006 | Camciuc, Bessière, et al., 1998 | Shiota, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 50. |
| Tend (C) | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 5. | 5. |
| Initial hold (min) | 5. | 3. | 3. |
| Final hold (min) | |||
| I | 1134. | 1133. | 1134. |
| Reference | Shiota, 1993 | Shiota, 1993 | Shiota, 1993 |
| Comment | 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.
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]
Ozcan, Chalchat, et al., 2006
Ozcan, M.M.; Chalchat, J.-C.; Arslan, D.; Ates, A.; Unver, A.,
Comparative Essential Oil Composition and Antifungal Effect of Bitter Fennel (Foeniculum vulgare ssp. piperitum) Fruit Oils Obtained During Different Vegetation,
J. Medicinal Food, 2006, 9, 4, 552-561, https://doi.org/10.1089/jmf.2006.9.552
. [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]
Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046
. [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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