Ethyl Acetate
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
- CAS Registry Number: 141-78-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Acetic acid, ethyl ester; Acetic ether; Acetidin; Acetoxyethane; Ethyl acetic ester; Ethyl ethanoate; Vinegar naphtha; CH3COOC2H5; Aethylacetat; Essigester; Ethyle (acetate d'); Etile (acetato di); Ethylacetaat; Ethylester kyseliny octove; Rcra waste number U112; UN 1173; Ethyl ester of acetic acid; 1-Acetoxyethane; NSC 70930; ac. acetic ethyl ester
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Normal alkane RI, polar column, custom temperature program
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 | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 30. | 60. | |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | |
| Program | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | not specified | not specified | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
| I | 862. | 907. | 870. | 885. | 870. |
| Reference | Gyawali and Kim, 2012 | Lee, Chong, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Miyazaki, Plotto, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52 CB | HP-Innowax | HP-Innowax | DB-Wax | Supelko CO Wax |
| Column length (m) | 60. | 30. | 60. | 60. | |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 0.25 | |
| Program | not specified | 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) | 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min) | 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min) | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) |
| I | 915. | 894. | 896. | 909. | 895. |
| Reference | Povolo, Cabassi, et al., 2011 | Xiao, Dai, et al., 2011 | Cajka, Riddellova, et al., 2010 | Kadar, Juan-Borras, et al., 2010 | Vekiari, Orepoulou, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelko CO Wax | DB-Wax | FFAP | DB-Wax | Supelcowax 10 |
| Column length (m) | 60. | 60. | 50. | 30. | 50. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.20 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
| Program | not specified | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) | 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min) | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
| I | 892. | 861. | 882. | 885. | 871. |
| Reference | Vekiari, Orepoulou, et al., 2010 | Gyawali and Kim, 2009 | Ortiz, Echeverra, et al., 2009 | Li, Tao, et al., 2008 | Soria, Martinez-Castro, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Supelcowax-10 | Supelcowax-10 | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | He | He | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C |
| I | 885. | 885. | 891. | 893. | 897. |
| Reference | Tao, Wenlai, et al., 2008 | Yongsheng, Hua, et al., 2008 | Berard, Bianchi, et al., 2007 | Berard, Bianchi, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | FFAP | DB-Wax | FFAP | HP-Innowax |
| Column length (m) | 30. | 50. | 30. | 50. | 60. |
| Carrier gas | Hydrogen | He | He | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.33 | 0.25 |
| Program | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) | 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
| I | 872. | 898. | 885. | 898. | 878. |
| Reference | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Lara, Echeverría, et al., 2007 | Li, Tao, et al., 2007 | Lopez, Villatoro, et al., 2007 | Viegas and Bassoli, 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | DB-Wax | Supelcowax-10 | Supelcowax-10 | FFAP |
| Column length (m) | 60. | 60. | 60. | 60. | 50. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.32 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Program | not specified | 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C | 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) | 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) |
| I | 885. | 868. | 866. | 866. | 898. |
| Reference | Viegas and Bassoli, 2007 | Gyawalia, Seo, et al., 2006 | Kourkoutas, Bosnea, et al., 2006 | Kourkoutas, Kandylis, et al., 2006 | Lara, Graell, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | CP-Wax 58CB | FFAP | DB-Wax | BP-21 |
| Column length (m) | 60. | 25. | 50. | 60. | 50. |
| Carrier gas | He | Helium | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.20 | 0.33 | 0.25 | 0.25 |
| Program | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) | 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | 50C => 2.5C/min => 180C(2min) => 1C/min => 200C(10min) |
| I | 853. | 898. | 898. | 891. | 885. |
| Reference | Mattheis, Fan, et al., 2005 | Tokitomo, Steihaus, et al., 2005 | Echeverría, Correa, et al., 2004 | Kim. J.H., Ahn, et al., 2004 | Salinas, Zalacain, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | Carbowax 20M | HP-FFAP | Carbowax 20M | HP Innowax FSP |
| Column length (m) | 60. | 50. | 50. | 60. | |
| Carrier gas | He | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.70 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | ||
| Program | 50C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) | not specified | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| I | 893. | 872. | 898. | 900. | 893. |
| Reference | Selli, Kürkçüoglu, et al., 2004 | Vinogradov, 2004 | Echeverria, Fuentes, et al., 2003 | Saura, LAencina, et al., 2003 | Tasdemir, Demirci, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP Innowax FSP | DB-Wax | FFAP | Cross-linked FFAP | CP-Wax 52CB |
| Column length (m) | 60. | 30. | 50. | 50. | 50. |
| Carrier gas | He | He | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.33 | 0.2 |
| Program | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C | 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) | 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min) | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) |
| I | 893. | 872. | 895. | 895. | 886. |
| Reference | Tasdemir, Demirci, et al., 2003 | Miranda, Nogueira, et al., 2001 | Lopez, Lavilla, et al., 2000 | Lavilla, Puy, et al., 1999 | Jakobsen, Hansen, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | DB-FFAP | Supelcowax-10 | DB-Wax | DB-Wax |
| Column length (m) | 50. | 30. | 30. | 60. | 60. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 50C(2min) => 7C/min => 140C => 17.5C/min => 230C | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
| I | 895. | 900. | 872. | 888. | 888. |
| Reference | López, Lavilla, et al., 1998 | Guth, 1997 | Chang, Seitz, et al., 1995 | Mattheis, Buchanan, et al., 1992 | Mattheis, Buchanan, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 60. | 60. | 50. | ||
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
| Phase thickness (μm) | |||||
| Program | not specified | not specified | not specified | not specified | not specified |
| I | 900. | 882. | 882. | 873. | 872. |
| Reference | Peng, Yang, et al., 1991 | Binder, Flath, et al., 1989 | Binder and Flath, 1989 | Peppard and Ramus, 1988 | Shibamoto, 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 20M |
| Column length (m) | 50. | 50. | 50. | ||
| Carrier gas | Hydrogen | Hydrogen | Hydrogen | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
| Phase thickness (μm) | |||||
| Program | not specified | not specified | not specified | not specified | not specified |
| I | 872. | 886. | 889. | 906. | 870. |
| Reference | Shibamoto, 1987 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Polyethylene Glycol |
| Column length (m) | |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Program | not specified |
| I | 872. |
| Reference | MacLeod and Pieris, 1981 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S.,
Bioactive volatile compounds of three medicinal plants from Nepal,
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Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q.,
Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts,
Uncorrected proof, 2012, 000-000. [all data]
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
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Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
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Povolo, Cabassi, et al., 2011
Povolo, M.; Cabassi, G.; Profaizer, M.; Lanteri, S.,
Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction,
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Discrimination of Chinese vinegars based on headspace solid-phase microextraction - gas chromatography mass spectrometry of volatile compounds and multivariate analysis,
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Traceability of olive oil based on volatiles pattern and multivariante analysis,
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Kadar, M.; Juan-Borras, M.; Hellebrandova, M.; Domenech, E.; Escriche, I.,
Volatile fraction composition of Acacia (Robinia pseudoacacia) honey from Romania, Spain, and Check Republic,
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Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D.,
Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece,
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Gyawali, R.; Kim, K.-S.,
Volatile organic compounds of medicinal values from Nepalese Acorus calamus L.,
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Ortiz, Echeverra, et al., 2009
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Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples,
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Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli County (China),
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Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G.,
Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax,
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Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S.,
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Kourkoutas, Bosnea, et al., 2006
Kourkoutas, Y.; Bosnea, L.; Taboukos, S.; Baras, C.; Lambrou, D.; Kanellaki, M.,
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Kourkoutas, Kandylis, et al., 2006
Kourkoutas, Y.; Kandylis, P.; Panas, P.; Dooley, J.S.G.; Nigam, P.; Koutinas, A.A.,
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Lara, Graell, et al., 2006
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Tasdemir, Demirci, et al., 2003
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Changes in aroma quality of 'Golden Delicious' apples after storage at different oxygen and carbon dioxide concentrations,
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Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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