Butanoic acid, 3-methyl-, propyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChIKey: LSJMDWFAADPNAX-UHFFFAOYSA-N
- CAS Registry Number: 557-00-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Isovaleric acid, propyl ester; Propyl isovalerate; Propyl 3-methylbutyrate; n-Propyl iso-valerate; 3-Methylbutanoic acid, propyl ester; Propyl 3-methylbutanoate; Propyl isopentanoate
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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, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 80. | 933. | Komárek, Hornová, et al., 1983 | Column length: 15. m; Column diameter: 0.22 mm |
Packed | SE-30 | 150. | 929. | Ashes and Haken, 1974 | Celaton (62-72 mesh); Column length: 3.7 m |
Packed | SE-30 | 100. | 930. | Chastrette, Heintz, et al., 1974 | N2, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | SE-30 | 150. | 937. | Germaine and Haken, 1969 | Celite 560; Column length: 3.7 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | Apiezon L | 912. | Rasmussen, 1983 | Chromosorb W HMDS HP (00-120 mesh), 4. K/min; Column length: 1.2 m; Tstart: 50. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | Apiezon L | 910. | Rasmussen, 1983 | Chromosorb W HMDS HP (00-120 mesh); Column length: 1.2 m; Program: not specified |
Capillary | SE-30 | 929. | Chretien and Dubois, 1978 | Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 1153. | Chastrette, Heintz, et al., 1974 | Chromosorb WAW (60-80 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 928. | Píry, Príbela, et al., 1995 | 25. m/0.2 mm/0.3 μm, He, 2. K/min; Tstart: 40. 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 | 951. | 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) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1148. | Píry, Príbela, et al., 1995 | 50. m/0.2 mm/0.2 μm, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1145. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 943. | Weenen, Koolhaas, et al., 1996 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 300. C |
Capillary | OV-101 | 924. | 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 | Polydimethyl siloxane with 5 % Ph groups | 949. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 952. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | SLB-5 MS | 946. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) |
Capillary | SLB-5 MS | 946. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SE-30 | 929. | Liu, Liang, et al., 2007 | Program: not specified |
Capillary | DB-5MS | 949. | Maia, Andrade, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C |
Capillary | SE-30 | 924. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1140. | Chin, Nazimah, et al., 2007 | 10. m/0.1 mm/0.1 μm, He, 40. C @ 1.5 min, 50. K/min, 240. C @ 2. min |
Capillary | Innowax | 1167. | 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 | Carbowax 20M | 1144. | 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 | Carbowax 20M | 1144. | Vinogradov, 2004 | Program: not specified |
Capillary | Carbowax 20M | 1144. | Bais, Dattatreya, et al., 2003 | He; Program: not specified |
Capillary | Carbowax 20M | 1144. | Bais, Dattatreya, et al., 2003 | He; Program: not specified |
Capillary | HP-Innowax FSC | 1167. | Kaya, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
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.
Komárek, Hornová, et al., 1983
Komárek, K.; Hornová, L.; Horna, A.; Churácek, J.,
Glass capillary gas chromatography of homologous series of esters. IV. Separation of homologous series of certain halogenopropyl esters of aliphatic carboxylic acids on OV-101,
J. Chromatogr., 1983, 281, 299-303, https://doi.org/10.1016/S0021-9673(01)87889-4
. [all data]
Ashes and Haken, 1974
Ashes, J.R.; Haken, J.K.,
Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters,
J. Chromatogr., 1974, 101, 1, 103-123, https://doi.org/10.1016/S0021-9673(01)94737-5
. [all data]
Chastrette, Heintz, et al., 1974
Chastrette, M.; Heintz, M.; Druilhe, A.; Lefort, D.,
Analyse chromatographique d'esters aliphatiques saturés. Relations rétention-structure et prévision de la rétention,
Bull. Soc. Chim. Fr., 1974, 9/10,Pt.1, 1852-1856. [all data]
Germaine and Haken, 1969
Germaine, R.W.; Haken, J.K.,
Gas chromatography of homologous esters. Part 1. Simple aliphatic esters,
J. Chromatogr., 1969, 43, 33-42, https://doi.org/10.1016/S0021-9673(00)99162-3
. [all data]
Rasmussen, 1983
Rasmussen, P.,
Identification of Volatile Components of Jacjfruit by Gas Chromatography / MAss Spectrometry with Two Different Columns,
Anal. Chem., 1983, 55, 8, 1331-1335, https://doi.org/10.1021/ac00259a033
. [all data]
Chretien and Dubois, 1978
Chretien, J.R.; Dubois, J-E.,
Topological Analysis: A Technique for the Physico-Chemical Exploitation of Retention Data in Gas-Liquid Chromatography,
J. Chromatogr., 1978, 158, 43-56, https://doi.org/10.1016/S0021-9673(00)89954-9
. [all data]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Yasuhara, 1987
Yasuhara, A.,
Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry,
J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X
. [all data]
Weenen, Koolhaas, et al., 1996
Weenen, H.; Koolhaas, W.E.; Apriyantono, A.,
Sulfur-containing volatiles of durian fruits (Durio zibethinus Murr.),
J. Agric. Food Chem., 1996, 44, 10, 3291-3293, https://doi.org/10.1021/jf960191i
. [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]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Liu, Liang, et al., 2007
Liu, F.; Liang, Y.; Cao, C.; Zhou, N.,
QSPR study of GC retention indices for saturated esters on seven stationary phases based on novel topological indices,
Talanta, 2007, 72, 4, 1307-1315, https://doi.org/10.1016/j.talanta.2007.01.038
. [all data]
Maia, Andrade, et al., 2004
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B.,
Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.),
Food Chem., 2004, 85, 2, 195-197, https://doi.org/10.1016/S0308-8146(03)00292-9
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Chin, Nazimah, et al., 2007
Chin, S.T.; Nazimah, S.A.H.; Quek, S.Y.; Che Man, Y.B.; Rahman, R.A.; Hashim, D.M.,
Analysis of volatile compounds from Malaysian durians (Durio zibethinus) using headspace SPME coupled to fast GC-MS,
J. Food Comp. Anal., 2007, 20, 1, 31-44, https://doi.org/10.1016/j.jfca.2006.04.011
. [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]
Bais, Dattatreya, et al., 2003
Bais, H.P.; Dattatreya, B.S.; Ravishankar, G.A.,
Production of volatile compounds by hairy root cultures of Cichorium intybus L under the influence of fungal elicitors and their analysis using solid-phase micro extraction gas chromatography-mass spectrometry,
J. Sci. Food Agric., 2003, 83, 8, 769-774, https://doi.org/10.1002/jsfa.1378
. [all data]
Kaya, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The essential oil of Seseli tortuosum L. growing in Turkey,
Flavour Fragr. J., 2003, 18, 2, 159-161, https://doi.org/10.1002/ffj.1162
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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