Butanoic acid, 2-methyl-, hexyl ester
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChIKey: YUECNVSODFDKOQ-UHFFFAOYSA-N
- CAS Registry Number: 10032-15-2
- 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, 2-methyl-, hexyl ester; Hexyl 2-methylbutyrate; 2-Methylbutanoic acid, n-hexyl ester; n-Hexyl 2-methyl butyrate; n-Hexyl 2-methylbutanoate; Hexyl 2-methylbutanoate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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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 | 1240. | 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-5 | 1236. | da Silva, Andrade, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-1 | 1224. | Takeoka, Buttery, et al., 1992 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 1222. | 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 | 1228. | 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 | 1222. | 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 | 1224. | 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 | 1243. | 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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1431. | Umano, Shoji, et al., 1986 | N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax | 1425. | 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 | 1223. | Sonboli, Azizian, et al., 2007 | 60. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
Capillary | HP-5 | 1236. | Flamini, Tebano, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | HP-5MS | 1227. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | HP-5 | 1234. | Javidnia, Miri, et al., 2005 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
Capillary | DB-5 | 1236. | Flamini, Cioni, et al., 2004 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5 | 1236. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | SPB-5 | 1247. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | RTX-5 | 1234. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
Capillary | RTX-5 | 1243. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
Capillary | DB-1 | 1232. | Mirza and Sefidkon, 1999 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 220. C |
Capillary | CP Sil 5 CB | 1228. | Hendriks and Bruins, 1983 | 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 70. C; Tend: 205. C |
Capillary | SE-52 | 1240. | 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 | HP-5MS | 1237.3 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Capillary | BPX-5 | 1204. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1415. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 1416. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 1195. | Srisajjalerwaja, Apichartsrangkoon, et al., 2012 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min; Tend: 250. C |
Capillary | HP-5 | 1238. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C |
Capillary | HP-5 MS | 1283. | Farhat, Ginies, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
Capillary | VF-5 | 1240. | Li and Zhao, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 300. C @ 10. min |
Capillary | DB-5 | 1239. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 45. C @ 3. min, 3. K/min, 250. C @ 5. min |
Capillary | HP-5 MS | 1236. | 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 | HP-5 MS | 1234. | Forero, Quijano, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min |
Capillary | HP-5 MS | 1239. | Sarikurkcu, Tepe, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | RTX-5 | 1240. | Skalicka-Wozniak, Los, et al., 2008 | 20. m/0.18 mm/0.20 μm, Helium, 50. C @ 1. min, 4. K/min; Tend: 280. C |
Capillary | DB-1 | 1221. | Sonboli, Kanani, et al., 2007 | 60. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
Capillary | 5 % Phenyl methyl siloxane | 1206. | Marongiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
Capillary | HP-5 | 1234. | Pino, Sauri-Duch, et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 4. K/min, 280. C @ 10. min |
Capillary | RTX-5Sil | 1235. | Holland, Larkov, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-5MS | 1190. | Marongiu, Piras, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
Capillary | DB-5MS | 1235. | Maia, Zoghbi, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5 | 1234. | Velickovic, Randjelovic, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
Capillary | DB-5MS | 1237. | Zoghbi, Andrade, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-101 | 1218. | 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 | 1224. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 1239. | 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 | DB-5 | 1239. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 1243. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-1 | 1222. | Ferreira, Meireles de Sousa, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
Capillary | LM-5 | 1243. | 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 | 1224. | Janzanntti, Franco, et al., 2007 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | LM-5 | 1240. | Janzanntti, Franco, et al., 2007 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | VB-5 | 1233. | 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 | 1221. | 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 | CP-Sil | 1221. | 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 | 1234. | 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 | CP Sil 8 CB | 1234. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
Capillary | SE-30 | 1224. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-5 | 1234. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax | 1438. | 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 | Supelcowax-10 | 1433. | Korány, Mednyánszky, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | DB-Wax | 1429. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-Wax | 1430. | Young, Gilbert, et al., 1996 | 30. m/0.32 mm/0.50 μm, Hydrogen, 30. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | Supelcowax-10 | 1418. | 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 | 1418. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1418. | 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 | 1418. | 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 | 1443. | 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 | Innowax FSC | 1438. | Kaya, Benirci, et al., 2007 | 60. m/0.25 mm/0.25 μm, Nitrogen; Program: 60 0C (10 min) 1 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
Capillary | FFAP | 1436. | 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 | 1436. | 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 | 1433. | 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 | HP-Innowax FSC | 1438. | Demirci and Baser, 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | FFAP | 1436. | 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 | Carbowax 20M | 1418. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-FFAP | 1436. | 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 | Innowax | 1438. | Baser, Özek, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
Capillary | Innowax | 1438. | Baser, Kürkcüoglu, et al., 1998 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | DB-Wax | 1433. | Mattheis, Buchanan, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
Capillary | DB-Wax | 1433. | 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
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Takeoka, Buttery, et al., 1992
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Volatile constituents of Asian pear (Pyrus serotina),
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Volatile constituents of peel of quince fruit, Cydonia oblonga Miller,
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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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Analysis of the essential oil composition of eight Anthemis species from Greece,
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Composition of the essential oil of Salvia macrosiphon Boiss. from Iran,
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Notes
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