Butyl 2-methylbutanoate
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChIKey: OTKQNSSMCDLVQV-UHFFFAOYSA-N
- CAS Registry Number: 15706-73-7
- 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: Butyl 2-methylbutyrate; Butanoic acid, 2-methyl-, butyl ester; n-Butyl 2-methyl butyrate
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Normal alkane 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 | DB-Wax | Innowax | DB-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 30. | 60. | 30. | 60. | 90. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 40. | 60. | 50. | 40. | 35. |
Tend (C) | 230. | 220. | 180. | 200. | 220. |
Heat rate (K/min) | 4. | 4. | 3. | 2. | 2. |
Initial hold (min) | 2. | 10. | 8. | 2. | 20. |
Final hold (min) | 5. | 10. | 30. | ||
I | 1228. | 1241. | 1253. | 1232. | 1231. |
Reference | Xu, Fan, et al., 2007 | Suleimenov, Atazharova, et al., 2003 | Franco and Shibamoto, 2000 | Umano, Hagi, et al., 2000 | Girard and Lau, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Carbowax 20M | Supelcowax-10 |
Column length (m) | 80. | 60. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.2 | 0.32 |
Phase thickness (μm) | 0.25 | |
Tstart (C) | 70. | 50. |
Tend (C) | 170. | 230. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | 15. | |
Final hold (min) | ||
I | 1226. | 1233. |
Reference | Anker, Jurs, et al., 1990 | Ha and Lindsay, 1989 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]
Franco and Shibamoto, 2000
Franco, M.R.B.; Shibamoto, T.,
Volatile composition of some Brazilian fruits: umbu-caja (Spondias citherea), camu-camu (Myrciaria dubia), araca-boi (Eugenia stipitata), and cupuacu (Theobroma grandiflorum),
J. Agric. Food Chem., 2000, 48, 4, 1263-1265, https://doi.org/10.1021/jf9900074
. [all data]
Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
. [all data]
Girard and Lau, 1995
Girard, B.; Lau, O.L.,
Effect of maturity and storage on quality and volatile production of 'Jonagold' apples,
Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7
. [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]
Ha and Lindsay, 1989
Ha, J.K.; Lindsay, R.C.,
Mass spectra of butyl esters of volatile branched-chain and other fatty acids occurring in milkfat and meat lipids,
J. Food Comp. Anal., 1989, 2, 2, 118-131, https://doi.org/10.1016/0889-1575(89)90072-0
. [all data]
Notes
Go To: Top, Normal alkane 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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