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
The 3d structure may be viewed using Java or Javascript. - 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, non-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 | HP-5 | HP-5 MS | DB-5 | HP-5 MS | BPX-5 |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1.00 | 0.25 | 0.25 |
Program | 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) |
I | 633. | 607. | 599. | 628. | 609. |
Reference | Fang, Pu, et al., 2012 | Kotowska, Zalikowski, et al., 2012 | Miyazaki, Plotto, et al., 2011 | Fan, Lu, et al., 2009 | Ortiz, Echeverra, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | Squalane | HP-5 | HP-5 |
Column length (m) | 50. | 60. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 1.05 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) | not specified | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | not specified |
I | 605. | 616. | 592. | 600. | 613. |
Reference | Pugliese, Sirtori, et al., 2009 | Rotsatschakul, Visesanguan, et al., 2009 | Chen, 2008 | Qiao, Xie, et al., 2008 | Qiao, Xie, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-1 | DB-5 MS | Methyl Silicone | VB-5 |
Column length (m) | 30. | 50. | 30. | 60. | |
Carrier gas | He | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 1. | |
Program | not specified | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | not specified | 35C(1min) => 4C/min => 175C => 10C/min => 260C |
I | 584. | 589. | 613. | 592. | 605. |
Reference | Zhao, Li, et al., 2008 | Barra, Baldovini, et al., 2007 | Cajka, Hajslova, et al., 2007 | Chen and Feng, 2007 | Karlshøj, Nielsen, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | DB-5 MS | HP-5 | DB-5 | BPX-5 |
Column length (m) | 60. | 60. | 60. | ||
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | ||
Phase thickness (μm) | 1.0 | 0.25 | 0.25 | ||
Program | not specified | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 50C => 5C/min => 100C => 15C/min => 250C (19C) | 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) |
I | 592. | 612. | 634. | 605. | 615. |
Reference | Liu, Liang, et al., 2007 | Liu, Xu, et al., 2007 | Splivallo, Bossi, et al., 2007 | Beaulieu, 2005 | Duflos, Moine, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane with 5 % Ph groups | HP-5 | HP-5 | DB-5 | HP-5 |
Column length (m) | 60. | 30. | 50. | ||
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1. | 0.25 | 1.05 | ||
Program | not specified | not specified | not specified | 40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
I | 615. | 602. | 609. | 611. | 612. |
Reference | Pino, Marbot, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Thierry, Maillard, et al., 2005 | Tokitomo, Steihaus, et al., 2005 | Garcia-Estaban, Ansorena, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | BPX-5 | SE-30 | HP-5 | BPX-5 |
Column length (m) | 50. | 60. | 30. | 60. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 1.05 | 1. | 0.25 | 1. | |
Program | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | not specified | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
I | 612. | 621. | 595. | 613. | 611. |
Reference | Garcia-Estaban, Ansorena, et al., 2004, 2 | Machiels, Istasse, et al., 2004 | Vinogradov, 2004 | Jordán, Margaría, et al., 2003 | Machiels, van Ruth, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | HP-5 | HP-5 | Methyl Silicone | CP Sil 8 CB |
Column length (m) | 60. | 30. | 30. | 60. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | |
Program | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | not specified | 40C (6min) => 2.5C/min => 150C => 90C/min => 250C | not specified | not specified |
I | 611. | 613. | 613. | 592. | 615. |
Reference | Machiels, van Ruth, et al., 2003 | Jordán, Goodner, et al., 2002 | Jordán, Margaría, et al., 2002 | N/A | Duckham, Dodson, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | Polydimethyl siloxane | HP-1 | Methyl Silicone | DB-1 |
Column length (m) | 60. | 50. | 60. | ||
Carrier gas | He | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1. | 0.52 | 0.25 | ||
Program | -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C | not specified | 40C => 2C/min => 130C => 4C/min => 250C | not specified | 40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min) |
I | 592. | 595. | 601. | 600. | 609. |
Reference | van Ruth, Grossmann, et al., 2001 | Spanier, Shahidi, et al., 2001 | Teai, Claude-Lafontaine, et al., 2001 | Estrada and Gutierrez, 1999 | Yen and Lin, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | SPB-1 | SE-54 | DB-5 | DB-5 |
Column length (m) | 60. | 30. | 50. | 50. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 5. | 0.25 | 0.25 | 0.25 | |
Program | not specified | 40C(6min) => 5C/min => 80C => 10C/min => 200C | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min) | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
I | 602. | 598. | 620. | 590. | 615. |
Reference | Zenkevich, 1999 | Flanagan, Streete, et al., 1997 | Guth, 1997 | Mateo, Aguirrezábal, et al., 1997 | Mateo and Zumalacárregui, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | Polydimethyl siloxanes | DB-1 | DB-1 | DB-1 |
Column length (m) | 50. | 60. | 30. | 60. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | |
Program | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) | not specified | not specified | 40C (4min) => 10C/min => 200C => 50C/min => 250C | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
I | 616. | 602. | 604. | 600. | 603. |
Reference | Mateo and Zumalacárregui, 1996 | Zenkevich and Chupalov, 1996 | Ciccioli, Cecinato, et al., 1994 | Schuberth, 1994 | Ciccioli, Brancaleoni, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | SPB-1 | DB-1 | DB-1 | CP Sil 8 CB |
Column length (m) | 60. | 60. | 60. | 60. | 40. |
Carrier gas | Helium | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.53 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 5.0 | 5.0 | 0.25 | ||
Program | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C | not specified | not specified | not specified | 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
I | 598. | 596. | 600. | 600. | 614. |
Reference | Strete, Ruprah, et al., 1992 | Strete, Ruprah, et al., 1992 | Binder, Flath, et al., 1989 | Binder and Flath, 1989 | Weller and Wolf, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | OV-101 | OV-101 | OV-101 |
Column length (m) | 30. | 30. | 25. | 50. | |
Carrier gas | H2 | H2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.31 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | not specified | not specified | not specified |
I | 600. | 600. | 595. | 595. | 595. |
Reference | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Morales and Duque, 1987 | Shibamoto, 1987 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SF96+Igepal | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 152. | 50. | 50. | 50. | 50. |
Carrier gas | Hydrogen | Hydrogen | Hydrogen | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.76 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | |||||
Program | 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C | not specified | not specified | not specified | not specified |
I | 603. | 593. | 600. | 611. | 616. |
Reference | Flath, Altieri, et al., 1984 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-1 | SE-30 |
Column length (m) | 50. | |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.5 | |
Phase thickness (μm) | ||
Program | not specified | -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
I | 596. | 607. |
Reference | Ramsey and Flanagan, 1982 | Heydanek and McGorrin, 1981 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Fang, Pu, et al., 2012
Fang, S.; Pu, B.; Chen, A.; Kangzhou, Ao; Xu, D.,
A box-behnken design for characterizing Chineser truffles (Tuber indicum) aroma by HS-SPME-GC-MS,
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Kotowska, Zalikowski, et al., 2012
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HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
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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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Fan, Lu, et al., 2009
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effect of fermentation on free and bound volatile compounds of orange juice,
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Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples,
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Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
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Machiels, van Ruth, et al., 2003
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Jordán, M.J.; Goodner, K.L.; Shaw, P.E.,
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Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
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Yen and Lin, 1999
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Changes in volatile flavor components of guava juice with high-pressure treatment and heat processing and during storage,
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Identification of character impact odorants of different white wine varieties,
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Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M.,
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Mateo, J.; Zumalacárregui, J.M.,
Volatile compounds in chorizo and their changes during ripening,
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Zenkevich, I.G.; Chupalov, A.A.,
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Joint use of retention index and mass spectrum in postmortem tests for volatile organics by headspace capillary gas chromatography with ion-trap detection,
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Volatile components of pineapple guava,
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Morales and Duque, 1987
Morales, A.L.; Duque, C.,
Aroma constituents of the fruit of the moutain papaya (Carica pubescens) from Colombia,
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Waggott and Davies, 1984
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Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
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Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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