Methyl valerate
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChIKey: HNBDRPTVWVGKBR-UHFFFAOYSA-N
- CAS Registry Number: 624-24-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Pentanoic acid, methyl ester; Valeric acid, methyl ester; Methyl n-valerate; Methyl pentanoate; Methyl valerianate; CH3(CH2)3COOCH3; n-Valeric acid methyl ester; Methyl ester of pentanoic acid
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Van Den Dool and Kratz 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 | ZB-Wax | ZB-Wax | CP-Wax 52CB | AT-Wax | DB-Wax |
Column length (m) | 30. | 30. | 60. | 60. | 15. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
Tstart (C) | 40. | 40. | 40. | 65. | 40. |
Tend (C) | 250. | 250. | 250. | 250. | 220. |
Heat rate (K/min) | 5. | 5. | 4. | 2. | 5. |
Initial hold (min) | 2. | 2. | 10. | 3. | |
Final hold (min) | 5. | 5. | 60. | 30. | |
I | 1081. | 1085. | 1089. | 1075. | 1086. |
Reference | Wu, Zorn, et al., 2007 | Wu, Zorn, et al., 2007 | Kourkoutas, Elmore, et al., 2006 | Pino and Marbot, 2001 | Peng, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Wax | Carbowax 20M | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 15. | 25. | 30. | 25. | 25. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.31 | 0.25 | 0.31 | 0.31 |
Phase thickness (μm) | 1. | 0.3 | |||
Tstart (C) | 40. | 50. | 40. | 50. | 50. |
Tend (C) | 220. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 5. | 2. | 2. | 2. | 2. |
Initial hold (min) | 3. | 10. | |||
Final hold (min) | 30. | ||||
I | 1096. | 1090. | 1084. | 1090. | 1095. |
Reference | Peng, 2000 | Suárez and Duque, 1992 | Umano, Hagi, et al., 1992 | Suárez and Duque, 1991 | Suárez and Duque, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed |
---|---|
Active phase | Carbowax 20M |
Column length (m) | |
Carrier gas | |
Substrate | Celite 545 |
Column diameter (mm) | |
Phase thickness (μm) | |
Tstart (C) | 75. |
Tend (C) | 228. |
Heat rate (K/min) | 4.6 |
Initial hold (min) | |
Final hold (min) | |
I | 1082. |
Reference | van den Dool and Kratz, 1963 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica,
Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758
. [all data]
Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons,
Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026
. [all data]
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Suárez and Duque, 1992
Suárez, M.; Duque, C.,
Change in volatile compounds during lulo (Solanum vestissimum D.) fruit maturation,
J. Agric. Food Chem., 1992, 40, 4, 647-649, https://doi.org/10.1021/jf00016a025
. [all data]
Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.),
J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014
. [all data]
Suárez and Duque, 1991
Suárez, M.; Duque, C.,
Volatile constituents of lulo (Salanum vestissimum D.) fruit,
J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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