Isopropyl butyrate
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: FFOPEPMHKILNIT-UHFFFAOYSA-N
- CAS Registry Number: 638-11-9
- 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. - Other names: Butanoic acid, 1-methylethyl ester; Butyric acid, isopropyl ester; n-C3H7C(O)OCH(CH3)2; Isopropyl n-butyrate; n-Butyric acid isopropyl ester; Isopropyl butanoate; UN 2405; 2-Propyl butanoate; 1-Methylethyl butanoate
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Van Den Dool and Kratz 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 | SPB-1 | DB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 4. | 1. | |||
Tstart (C) | 50. | 50. | 45. | 40. | 50. |
Tend (C) | 250. | 250. | 240. | 210. | 250. |
Heat rate (K/min) | 3. | 3. | 5. | 3. | 4. |
Initial hold (min) | 13. | 0.1 | |||
Final hold (min) | 5. | ||||
I | 842. | 855. | 816. | 848. | 823. |
Reference | Isidorov, Zenkevich, et al., 2001 | Isidorov, Zenkevich, et al., 2001 | Larráyoz, Addis, et al., 2001 | Moio and Addeo, 1998 | Flath, Light, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-5 |
Column length (m) | 0.32 |
Carrier gas | H2 |
Substrate | |
Column diameter (mm) | 1. |
Phase thickness (μm) | |
Tstart (C) | 30. |
Tend (C) | 180. |
Heat rate (K/min) | 1.5 |
Initial hold (min) | 5. |
Final hold (min) | |
I | 837. |
Reference | Guichard and Souty, 1988 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Isidorov, Zenkevich, et al., 2001
Isidorov, V.A.; Zenkevich, I.G.; Krajewska, U.; Dubis, E.N.; Jaroszynska, J.; Bal, K.,
Gas chromatographic analysis of essential oils with preliminary partition of components,
Phytochem. Anal., 2001, 12, 2, 87-90, https://doi.org/10.1002/pca.564
. [all data]
Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O.,
Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [all data]
Flath, Light, et al., 1990
Flath, R.A.; Light, D.M.; Jang, E.B.; Mon, T.R.; John, J.O.,
Headspace Examination of Volatile Emissions from Ripening Papaya (Carica papaya L., Solo Variety),
J. Agric. Food Chem., 1990, 38, 4, 1060-1063, https://doi.org/10.1021/jf00094a032
. [all data]
Guichard and Souty, 1988
Guichard, E.; Souty, M.,
Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties,
Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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