1-Butanol, 2-methyl-, acetate
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: XHIUFYZDQBSEMF-UHFFFAOYSA-N
- CAS Registry Number: 624-41-9
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Other names: 2-Methyl-1-butyl acetate; 2-Methylbutyl acetate; Acetic acid 2-methylbutyl ester; 2-Methybutyl acetate; 2-Methyl-1-butanol acetate; 2-Methylbutanol acetate; Active amyl acetate
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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 | HP-5 MS | ZB-1 | RTX-5 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 10. | 30. |
Carrier gas | Helium | Helium | Nitrogen | He | |
Substrate | |||||
Column diameter (mm) | 0.252 | 0.25 | 0.25 | 0.18 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Tstart (C) | 60. | 40. | 45. | 40. | 60. |
Tend (C) | 240. | 250. | 230. | 275. | 280. |
Heat rate (K/min) | 3. | 4. | 3. | 50. | 4. |
Initial hold (min) | 2. | 0.5 | |||
Final hold (min) | 5. | 0.5 | |||
I | 874. | 852. | 879. | 883. | 882. |
Reference | Cavar, Maksimovic, et al., 2010 | Raffo, Kelderer, et al., 2009 | Mierendorff, Stahl-Biskup, et al., 2008 | Setkova, Risticevic, et al., 2007 | Ebrahim Sajjadi and Mehregan, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5Sil | HP-5 | HP-5MS | ZB-1 | HP-5 |
Column length (m) | 30. | 60. | 30. | 30. | |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 45. | 30. | 60. | 45. | 35. |
Tend (C) | 200. | 260. | 285. | 230. | 200. |
Heat rate (K/min) | 3. | 2. | 4.3 | 3. | 6. |
Initial hold (min) | 5. | 2. | 2. | ||
Final hold (min) | 28. | ||||
I | 882. | 884.5 | 880. | 879. | 875. |
Reference | Holland, Larkov, et al., 2005 | Leffingwell and Alford, 2005 | Tesevic, Nikicevic, et al., 2005 | Mierendorff, Stahl-Biskup, et al., 2003 | Larsen and Frisvad, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | OV-101 | SE-30 |
Column length (m) | 30. | 60. | 60. | 50. | 200. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.31 | 0.6 |
Phase thickness (μm) | 1.0 | ||||
Tstart (C) | 40. | 30. | 30. | 0. | 20. |
Tend (C) | 250. | 210. | 210. | 225. | 220. |
Heat rate (K/min) | 3. | 2. | 2. | 3. | 2. |
Initial hold (min) | 4. | 4. | 1. | ||
Final hold (min) | 30. | ||||
I | 861. | 868. | 869. | 866. | 863. |
Reference | Peppard, 1992 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 | del Rosario, de Lumen, et al., 1984 | Dirinck, de Pooter, et al., 1981 |
Comment | MSDC-RI | MSDC-RI | 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.
Cavar, Maksimovic, et al., 2010
Cavar, S.; Maksimovic, M.; Solic, M.E.,
Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia,
Biologica Nyssana, 2010, 1, 1-2, 99-103. [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]
Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]
Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data,
J. Chromatogr. A, 2007, 1147, 2, 224-240, https://doi.org/10.1016/j.chroma.2007.02.052
. [all data]
Ebrahim Sajjadi and Mehregan, 2006
Ebrahim Sajjadi, S.; Mehregan, I.,
Volatile constituents of flowers and leaves of Anthemis hyalina,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 531-533, https://doi.org/10.1007/s10600-006-0207-2
. [all data]
Holland, Larkov, et al., 2005
Holland, D.; Larkov, O.; Bar-Ya'akov, I.; Bar, E.; Zax, A.; Brandeis, E.; Ravid, U.; Lewinsohn, E.,
Developmental and varietal differences in volatile ester formation and acetyl-CoA: alcohol acetyl transferase activities in apple (Malus domestica Borkh.) fruit,
J. Agric. Food Chem., 2005, 53, 18, 7198-7203, https://doi.org/10.1021/jf050519k
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M.,
Volatile components from old plum brandies,
Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]
Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctulatus),
Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259
. [all data]
Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2
. [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]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [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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