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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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 1048. | Janzanntti, Franco, et al., 2000 | 2. K/min; Column length: 50. m; Column diameter: 0.21 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-1 | 1030. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 1033. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 1026. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 1030. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 1064. | Janzanntti, Franco, et al., 2000 | Column length: 50. m; Column diameter: 0.21 mm; Program: 50C (10min) => 2C/min => 75C => 3C/min => 150C => 5C/min => 200C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax | 1239. | Rowan, Lane, et al., 1996 | 30. m/0.25 mm/0.25 μm; Program: 40C (10min) => 3C/min => 100C => 5C/min => 220C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1013. | Brat, Brillouet, et al., 2000 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | SE-52 | 1045. | de Pooter, Montens, et al., 1983 | He, 1. K/min; Column length: 150. m; Column diameter: 0.6 mm; Tstart: 10. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-5 | 1043. | Fuhrmann and Grosch, 2002 | Program: not specified |
Capillary | DB-5MS | 1047. | Boulanger and Crouzet, 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1219. | Boulanger and Crouzet, 2000 | 30. m/0.25 mm/0.25 μm, H2; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 70. | 1031. | Yabumoto, Jennings, et al., 1977 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1041. | Raffo, Kelderer, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 5. min |
Capillary | DB-5 | 1038. | Xu, Fan, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 5. min |
Capillary | HP-5 | 1044. | Gallori, Flamini, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | OV-101 | 1020. | Camciuc, Bessière, et al., 1998 | 50. m/0.22 mm/1. μm, He, 100. C @ 1. min, 1. K/min; Tend: 220. C |
Capillary | OV-101 | 1029. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | SE-30 | 1038. | Alves and Jennings, 1979 | Helium, 2. K/min; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 1042. | Ortiz, Echeverra, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) |
Capillary | CP-Sil 8CB-MS | 1038. | Profitt, Schatz, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 260 0C |
Capillary | LM-5 | 1064. | Janzanntti, Franco, et al., 2007 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 50 0C (10 min) 2 oC/min -> 75 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C |
Capillary | LM-5 | 1029. | Janzanntti, Franco, et al., 2007 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | LM-5 | 1048. | Janzanntti, Franco, et al., 2007 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | VB-5 | 1028. | Karlshøj, Nielsen, et al., 2007 | 60. m/0.25 mm/1. μm, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C |
Capillary | CP-Sil | 1038. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
Capillary | SPB-5 | 1036. | Crook, Boylston, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C |
Capillary | SE-30 | 1029. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 1234. | Yabumoto, Jennings, et al., 1977 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1228. | Xu, Fan, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 5. min |
Capillary | Innowax | 1241. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-Wax | 1253. | Franco and Shibamoto, 2000 | He, 50. C @ 8. min, 3. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tend: 180. C |
Capillary | DB-Wax | 1232. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | Supelcowax-10 | 1231. | Girard and Lau, 1995 | 90. m/0.25 mm/0.25 μm, He, 35. C @ 20. min, 2. K/min, 220. C @ 30. min |
Capillary | Carbowax 20M | 1226. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Supelcowax-10 | 1233. | Ha and Lindsay, 1989 | 60. m/0.32 mm/0.25 μm, He, 50. C @ 15. min, 2. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1235. | Ortiz, Echeverra, et al., 2009 | 50. m/0.20 mm/0.33 μm, Helium; Program: 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) |
Capillary | DB-Wax | 1219. | Rowan, Hunt, et al., 2009 | 20. m/0.18 mm/0.18 μm, Helium; Program: 35 0C (1 min) 2.9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) |
Capillary | DB-Wax | 1219. | Rowan, Hunt, et al., 2009, 2 | 20. m/0.18 mm/0.18 μm, Helium; Program: 35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) |
Capillary | DB-Wax | 1236. | Valappil, Fan, et al., 2009 | 30. m/0.32 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) |
Capillary | FFAP | 1240. | Lara, Echeverría, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) |
Capillary | FFAP | 1240. | Lopez, Villatoro, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) |
Capillary | DB-Wax | 1235. | Mattheis, Fan, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) |
Capillary | FFAP | 1240. | Echeverría, Correa, et al., 2004 | 50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) |
Capillary | HP-Innowax FSC | 1241. | Kivcak, Akay, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Carbowax 20M | 1226. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-FFAP | 1240. | Echeverria, Fuentes, et al., 2003 | 50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) |
Capillary | HP-Innowax FSC | 1244. | Kaya, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Innowax | 1241. | Ahmed, Choudhary, et al., 2000 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
Capillary | DB-Wax | 1231. | Mattheis, Buchanan, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Janzanntti, Franco, et al., 2000
Janzanntti, N.S.; Franco, M.R.B.; Lanças, F.M.,
Identificação de compostos voláteis de maçãs (Malus domestica) cultivar fuji, por cromatografia gasosa-espectrometria de massas,
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Biosynthesis of 2-methylbutyl, 2-methyl-2-butenyl, and 2-methylbutanoate esters in Red Delicious and Granny Smith apples using deuterium-labeled substrates,
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Kivcak, Akay, et al., 2004
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Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey,
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Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis,
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Kaya, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The essential oil of Seseli tortuosum L. growing in Turkey,
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Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022
. [all data]
Notes
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