Butanoic acid, propyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: HUAZGNHGCJGYNP-UHFFFAOYSA-N
- CAS Registry Number: 105-66-8
- 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: Butyric acid, propyl ester; n-Propyl butyrate; n-Propyl n-butyrate; Propyl butanoate; Propyl butyrate; Propyl n-butyrate; n-Butyric acid n-propyl ester; Propylester kyseliny maselne; Propyl ester of butanoic acid; n-Propanol butyrate; propyl bytanoate
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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 | HP-5 MS | HP-5 MS | HP-5 | DB-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | Helium | Helium | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
Tstart (C) | 50. | 40. | 35. | 40. | 40. |
Tend (C) | 240. | 250. | 200. | 250. | 190. |
Heat rate (K/min) | 4. | 4. | 3. | 4. | 4. |
Initial hold (min) | 2. | 2. | 5. | 2. | |
Final hold (min) | 10. | 5. | 5. | 5. | |
I | 898. | 873. | 896. | 896. | 893. |
Reference | Pino, Marquez, et al., 2010 | Raffo, Kelderer, et al., 2009 | Isidorov, Purzynska, et al., 2006 | Fan and Qian, 2005 | Azodanlou, Darbellay, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | DB-1 | DB-1 | DB-1 |
Column length (m) | 50. | 50. | 30. | 30. | 60. |
Carrier gas | Nitrogen | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1.0 | 1.0 | 0.25 | ||
Tstart (C) | 40. | 80. | 40. | 40. | 50. |
Tend (C) | 200. | 200. | 250. | 250. | 240. |
Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
Initial hold (min) | 10. | ||||
Final hold (min) | 30. | 30. | |||
I | 879. | 881. | 880. | 881. | 876. |
Reference | Tamura, Boonbumrung, et al., 2000 | Egolf and Jurs, 1993 | Peppard, 1992 | Peppard, 1992 | Shiota, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | OV-101 | SE-30 |
Column length (m) | 60. | 50. | 200. |
Carrier gas | He | N2 | |
Substrate | |||
Column diameter (mm) | 0.25 | 0.28 | 0.6 |
Phase thickness (μm) | 0.25 | ||
Tstart (C) | 50. | 80. | 20. |
Tend (C) | 240. | 200. | 220. |
Heat rate (K/min) | 3. | 2. | 2. |
Initial hold (min) | |||
Final hold (min) | |||
I | 877. | 881. | 884. |
Reference | Shiota, 1991 | Anker, Jurs, et al., 1990 | Dirinck, de Pooter, et al., 1981 |
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.
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Raffo, Kelderer, et al., 2009
Raffo, A.; Kelderer, M.; Paoletti, F.; Zanella, A.,
Impact of innovative controlled atmosphere storage technologies and postharvest treatment on volatile compound production in Cv. Pinova apples,
J. Agric. Food Chem., 2009, 57, 3, 915-923, https://doi.org/10.1021/jf802054y
. [all data]
Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M.,
Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating,
Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043
. [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]
Azodanlou, Darbellay, et al., 2003
Azodanlou, R.; Darbellay, C.; Luisier, J.-L.; Villettaz, J.-C.; Amadò, R.,
Quality assessment of strawberries (Fragaria species),
J. Agric. Food Chem., 2003, 51, 3, 715-721, https://doi.org/10.1021/jf0200467
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [all data]
Peppard, 1992
Peppard, T.L.,
Volatile flavor constituents of Monstera deliciosa,
J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018
. [all data]
Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019
. [all data]
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [all data]
Dirinck, de Pooter, et al., 1981
Dirinck, P.J.; de Pooter, H.L.; Willaert, G.A.; Schamp, N.M.,
Flavor quality of cultivated strawberries: the role of the sulfur compounds,
J. Agric. Food Chem., 1981, 29, 2, 316-321, https://doi.org/10.1021/jf00104a024
. [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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