Ethane, 1,1-diethoxy-
- Formula: C6H14O2
- Molecular weight: 118.1742
- IUPAC Standard InChI: InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N
- CAS Registry Number: 105-57-7
- 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. - Other names: Acetaldehyde, diethyl acetal; Acetal; Diethyl acetal; Ethylidene diethyl ether; 1,1-Diethoxyethane; CH3CH(OC2H5)2; Acetal diethylique; Diaethylacetal; 1,1-Diaethoxy-aethan; 1,1-Diethoxy-ethaan; 1,1-Dietossietano; Acetale; Acetol; UN 1088; USAF DO-45; Capsicum annuum l; Ethylidine diethyl ether; Diethoxy-1,1-ethane; NSC 7624; Ethanal diethyl acetal; acetal (acetaldehyde diethyl acetal)
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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 |
|---|---|---|---|---|---|
| Packed | SE-30 | 150. | 710. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
| Packed | SE-30 | 100. | 717. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
| Packed | Silicon High Vacuum Grease (obsolete) | 90. | 720. | Jonas, Janák, et al., 1966 | H2 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 75. | 910. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 866. | Toda, Yamaguchi, et al., 1982 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | Carbowax 20M | 867. | Toda, Yamaguchi, et al., 1982 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 886. | Brander, Kepner, et al., 1980 | Program: not specified |
| Capillary | Carbowax 20M | 889. | Brander, Kepner, et al., 1980 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 717.3 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
| Capillary | HP-5 | 725. | David, Scanlan, et al., 2000 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 50. C; Tend: 290. C |
| Capillary | DB-5 | 730. | Moio L., Rillo L., et al., 1996 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | OV-101 | 715. | Misharina, Aerove, et al., 1991 | 50. m/0.32 mm/0.50 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 729. | Fritsch and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
| Capillary | SE-54 | 736. | Fritsch and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 900. | Fritsch and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 725. | 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 | DB-1 | 714. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
| Capillary | DB-5 | 726. | 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 | DB-1 | 719. | Chen, Sheu, et al., 2006 | Nitrogen, 40. C @ 1. min, 2. K/min, 200. C @ 9. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | DB-5 | 726. | Fan and Qian, 2006 | 30. m/0.32 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 719. | Fan and Qian, 2006, 2 | 30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min |
| Capillary | DB-5 | 730. | de Souza, Vásquez, et al., 2006 | He, 35. C @ 3. min, 6. K/min; Column length: 13.5 m; Column diameter: 0.32 mm; Tend: 225. C |
| Capillary | DB-5 | 726. | Fan and Qian, 2005 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 250. C @ 5. min |
| Capillary | SPB-5 | 726. | Ledauphin, Guichard, et al., 2003 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 220. C @ 20. min |
| Capillary | AT-1 | 727. | Kelling, 2001 | He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
| Capillary | Methyl Silicone | 722.16 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | DB-1 | 725. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
| Capillary | DB-5 | 730. | Moio, Dekimpe, et al., 1993 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | OV-101 | 718. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | SF96+Igepal | 715. | Lorenz, Stern, et al., 1983 | 45. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C |
| Capillary | SE-30 | 727. | 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 | Polydimethyl siloxane with 5 % Ph groups | 726. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 743. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | HP-5 | 727. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
| Capillary | HP-5 | 726. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | SE-30 | 710. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5 | 734. | Jordán, Margaría, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: 40C(6min) => 2.5C/min => 150C => 90C/min => 250C |
| Capillary | HP-5 | 725.1 | David, Scanlan, et al., 2002 | 50. m/0.32 mm/1.05 μm, He; Program: not specified |
| Capillary | HP-5 | 719. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | BPX-5 | 724. | Madruga, Arruda, et al., 2000 | 50. m/0.32 mm/0.50 μm, Helium; Program: 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min) |
| Capillary | DB-5 | 730. | Guth, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
| Capillary | SE-54 | 730. | Guth, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 717. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 57 CB | 928. | Callejon, Morales, et al., 2008 | 50. m/0.25 mm/0.20 μm, Hydrogen, 35. C @ 5. min, 4. K/min, 150. C @ 17.5 min |
| Capillary | DB-Wax | 894. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
| Capillary | DB-Wax | 889. | 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 | DB-Wax | 892. | Fan and Qian, 2006 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min |
| Capillary | DB-Wax | 891. | Fan and Qian, 2006, 2 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min |
| Capillary | DB-Wax | 889. | Fan and Qian, 2005 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 5. min |
| Capillary | DB-Wax | 900. | Lee and Noble, 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min |
| Capillary | DB-Wax | 898. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | Carbowax 20M | 890. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | Carbowax 20M | 890. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | Carbowax 20M | 890. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | Carbowax 20M | 890. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | BP-20 | 880. | MacLeod and Snyder, 1985 | 70. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelco CO Wax-10 | 925. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) |
| Capillary | Supelco CO Wax-10 | 930. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Carbowax 20M | 880. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-FFAP | 900. | Guth, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
| Capillary | DB-FFAP | 900. | Guth, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
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.
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
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Winskowski, 1983
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Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
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Jonas, Janák, et al., 1966
Jonas, J.; Janák, J.; Kratochvíl, M.,
Structural investigations with the aid of Kovats retention index system on one (nonpolar) stationary phase,
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Goebel, 1982
Goebel, K.-J.,
Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe,
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Toda, Yamaguchi, et al., 1982
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Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer,
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Kelling, 2001
Kelling, F.J.,
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Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P.,
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Lorenz, G.; Stern, D.J.; Flath, R.A.; Haddon, W.F.; Tillin, S.J.; Teranishi, R.,
Identification of sheep liver volatiles,
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Alves and Jennings, 1979
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Volatile composition of certain Amazonian fruits,
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Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
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Vinogradov, 2004
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David, Scanlan, et al., 2002
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Analysis of essential oil compounds using retention time locked methods and retention time databases, 2002, retrieved from http://www.chem.agilent.com. [all data]
Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E.,
Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O,
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Madruga, Arruda, et al., 2000
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Castration and slaughter age effects on panel assessment and aroma compounds of the mestico goat meat,
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Guth, 1997
Guth, H.,
Identification of character impact odorants of different white wine varieties,
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Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
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Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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