Ethyl Acetate
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
- 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, temperature ramp
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 | Optima-5 MS | HP-5 MS | VF-5 MS | VF-5 MS | VF-5 MS |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 35. | 40. | 30. | 30. |
| Tend (C) | 250. | 300. | 250. | 260. | 260. |
| Heat rate (K/min) | 10. | 3. | 4. | 2. | 2. |
| Initial hold (min) | 3. | 5. | 2. | ||
| Final hold (min) | 5. | 15. | 28. | 28. | |
| I | 611. | 612. | 606. | 604. | 607. |
| Reference | Goeminne, Vandendriessche, et al., 2012 | Kotowska, Zalikowski, et al., 2012 | Srisajjalerwaja, Apichartsrangkoon, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | HP-5 MS | DB-1 | DB-5 | SPB-5 |
| Column length (m) | 25. | 30. | 30. | 60. | 60. |
| Carrier gas | Nitrogen | Helium | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.0 | 1. |
| Tstart (C) | 40. | 50. | 30. | 35. | 40. |
| Tend (C) | 220. | 230. | 210. | 240. | 230. |
| Heat rate (K/min) | 6. | 4. | 5. | 15. | 3. |
| Initial hold (min) | 4. | 7. | 5. | ||
| Final hold (min) | 10. | 10. | 5. | ||
| I | 602. | 605. | 593. | 628. | 614. |
| Reference | Zenkevich, Eliseenkov, et al., 2011 | Forero, Quijano, et al., 2008 | Kumazawa, Itobe, et al., 2008 | Gogus, Ozel, et al., 2007 | Vasta, Ratel, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-1 | DB-1 | DB-5 | HP-5 |
| Column length (m) | 30. | 50. | 60. | 30. | 30. |
| Carrier gas | He | N2 | Nitrogen | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 1. | 0.25 | |
| Tstart (C) | 40. | 60. | 40. | 40. | 35. |
| Tend (C) | 250. | 250. | 200. | 250. | 200. |
| Heat rate (K/min) | 4. | 2. | 2. | 4. | 3. |
| Initial hold (min) | 2. | 1. | 2. | 5. | |
| Final hold (min) | 5. | 20. | 9. | 15. | |
| I | 584. | 594. | 597. | 584. | 608. |
| Reference | Xu, Fan, et al., 2007 | Berlioz, Cordella, et al., 2006 | Chen, Sheu, et al., 2006 | Fan and Qian, 2006 | Isidorov, Purzynska, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-5 | DB-5 | SPB-5 |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 30. | 40. | 60. |
| Tend (C) | 240. | 250. | 260. | 250. | 250. |
| Heat rate (K/min) | 4. | 4. | 2. | 5. | 4. |
| Initial hold (min) | 2. | 2. | 2. | 0.5 | 2. |
| Final hold (min) | 5. | 28. | 2. | 20. | |
| I | 608. | 584. | 628.0 | 628. | 615. |
| Reference | El-Sayed, Heppelthwaite, et al., 2005 | Fan and Qian, 2005 | Leffingwell and Alford, 2005 | Özel, Gögüs, et al., 2005 | Pino, Marbot, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RSL-200 | DB-5 | SPB-1 | HP-5 | RSL-200 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 60. | 40. | 50. | 50. |
| Tend (C) | 280. | 280. | 200. | 200. | 280. |
| Heat rate (K/min) | 6. | 4. | 3. | 3. | 6. |
| Initial hold (min) | 5. | 10. | 10. | 5. | |
| Final hold (min) | 5. | 40. | 5. | ||
| I | 592. | 615. | 612. | 630. | 595. |
| Reference | Jirovetz, Buchbauer, et al., 2003 | Pino, Marbot, et al., 2003 | Vichi, Pizzale, et al., 2003 | Isidorov and Jdanova, 2002 | Jirovetz, Ngassoum, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | DB-5 | HP-5 | BP-1 | OV-101 |
| Column length (m) | 30. | 60. | 60. | 50. | 50. |
| Carrier gas | Helium | He | He | He | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 1. | 0.75 | |
| Tstart (C) | 60. | 40. | 40. | 50. | 40. |
| Tend (C) | 250. | 200. | 240. | 200. | 200. |
| Heat rate (K/min) | 4. | 3. | 3. | 5. | 2. |
| Initial hold (min) | 2. | 5. | 10. | ||
| Final hold (min) | 20. | ||||
| I | 615. | 614. | 614. | 596. | 600. |
| Reference | Pino, Marbot, et al., 2002 | Joffraud, Leroi, et al., 2001 | García, Martín, et al., 2000 | Health Safety Executive, 2000 | Tamura, Boonbumrung, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Methyl Silicone | Methyl Silicone | HP-5 | SPB-1 | Ultra-2 |
| Column length (m) | 50. | 60. | 25. | 50. | 50. |
| Carrier gas | H2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.33 | 0.33 | 0.52 |
| Tstart (C) | 40. | 40. | 50. | 40. | 40. |
| Tend (C) | 260. | 220. | 180. | 200. | 250. |
| Heat rate (K/min) | 4. | 5. | 5. | 3. | 4. |
| Initial hold (min) | 0.5 | 10. | 3. | 3. | 3. |
| Final hold (min) | 30. | 30. | |||
| I | 600. | 601.82 | 615. | 597. | 588. |
| Reference | Vendramini and Trugo, 2000 | Baraldi, Rapparini, et al., 1999 | Jung, Wichmann, et al., 1999 | Wong and Lai, 1996 | King, Matthews, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | OV-101 | OV-101 | DB-1 | DB-1 |
| Column length (m) | 50. | 50. | 60. | 60. | |
| Carrier gas | N2 | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 1. | 1. | |||
| Tstart (C) | 35. | 80. | 80. | 40. | 40. |
| Tend (C) | 200. | 200. | 200. | 260. | 260. |
| Heat rate (K/min) | 6. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 2. | 5. | 5. | ||
| Final hold (min) | 60. | 60. | |||
| I | 620. | 583. | 592. | 601. | 602. |
| Reference | Larsen and Frisvad, 1995 | Tamura, Nakamoto, et al., 1995 | Tamura, Nakamoto, et al., 1995 | Yu, Wu, et al., 1994 | Yu, Wu, et al., 1994, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-1 | DB-1 | DB-5 |
| Column length (m) | 60. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 50. | 50. | 30. | 40. |
| Tend (C) | 200. | 240. | 240. | 200. | 160. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 2. |
| Initial hold (min) | 2. | 5. | 5. | 25. | 5. |
| Final hold (min) | 20. | ||||
| I | 568. | 580. | 590. | 600. | 614. |
| Reference | Shimoda, Shibamoto, et al., 1993 | Shiota, 1993 | Shiota, 1993 | Hansen, Buttery, et al., 1992 | Macku and Shibamoto, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | DB-1 | DB-1 | OV-101 | DB-1 |
| Column length (m) | 50. | 60. | 60. | 50. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.28 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 50. | 80. | 50. |
| Tend (C) | 250. | 240. | 240. | 200. | 230. |
| Heat rate (K/min) | 4. | 3. | 3. | 2. | 4. |
| Initial hold (min) | |||||
| Final hold (min) | 10. | ||||
| I | 612. | 590. | 600. | 595. | 600. |
| Reference | Misharina, Golovnya, et al., 1991 | Shiota, 1991 | Shiota, 1991 | Anker, Jurs, et al., 1990 | Binder, Benson, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | OV-101 | OV-101 | OV-101 |
| Column length (m) | 50. | 50. | 50. | 50. | |
| Carrier gas | H2 | Nitrogen | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.3 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | |||||
| Tstart (C) | 50. | 80. | 70. | 80. | 80. |
| Tend (C) | 230. | 250. | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 16. | 2. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 10. | ||||
| I | 600. | 595. | 590. | 594. | 595. |
| Reference | Binder, Turner, et al., 1990 | Spadone, Takeoka, et al., 1990 | Sugisawa, Nakamura, et al., 1990 | Yang and Sugisawa, 1990 | Yang and Sugisawa, 1990 |
| 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 | SF96+Igepal | SP 2100 |
| Column length (m) | 60. | 50. | 50. | 213. | 40. |
| Carrier gas | He | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.31 | 0.7 | 0.20 |
| Phase thickness (μm) | |||||
| Tstart (C) | 50. | 0. | 0. | 45. | 40. |
| Tend (C) | 250. | 250. | 225. | 200. | 200. |
| Heat rate (K/min) | 4. | 3. | 3. | 2. | 10. |
| Initial hold (min) | 1. | 30. | |||
| Final hold (min) | 5. | ||||
| I | 600. | 605. | 604. | 600. | 600. |
| Reference | Binder, Flath, et al., 1989 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | Lorenz, Stern, et al., 1983 | Labropoulos, Palmer, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | OV-1 | SF-96 |
| Column length (m) | 200. | 50. | 183. | 111. | |
| Carrier gas | N2 | He | Helium | N2 | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.6 | 0.5 | 0.762 | 0.76 | |
| Phase thickness (μm) | |||||
| Tstart (C) | 20. | 40. | 70. | 0. | |
| Tend (C) | 220. | 170. | 170. | 230. | 130. |
| Heat rate (K/min) | 2. | 3. | 2. | 1. | 3. |
| Initial hold (min) | 3. | 8. | |||
| Final hold (min) | 40. | ||||
| I | 605. | 605. | 615. | 603. | 610. |
| Reference | Dirinck, de Pooter, et al., 1981 | Heydanek and McGorrin, 1981 | Alves and Jennings, 1979 | Schreyen, Dirinck, et al., 1979 | Donetzhuber, Johansson, et al., 1976 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J.,
Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis,
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Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
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Srisajjalerwaja, Apichartsrangkoon, et al., 2012
Srisajjalerwaja, S.; Apichartsrangkoon, A.; Chaikham, P.; Chakrabandhu, Y.; Pathomrungsiyounggul, P.; Leksawasdi, N.; Supraditareporn, W.; Hirun, S.,
Color, capsaicin and volatile components of baked thai green chili (Capsicum anmuum Linn. var. Jak Ka Pat),
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Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Identification of the products of nonregioselective organic reactions by chromatography - mass spectrometry: chloro derivatives of dialkyl ethers,
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Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
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Vendramini and Trugo, 2000
Vendramini, A.L.; Trugo, L.C.,
Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity,
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Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
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Volatile compounds generated from the thermal interaction of glucose and alliin or deoxyalliin in propylene glycol,
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Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
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Hansen, Buttery, et al., 1992
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Macku and Shibamoto, 1991
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Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
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Misharina, Golovnya, et al., 1991
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Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
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Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
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Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
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Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R.,
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Yang and Sugisawa, 1990
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Citrus Suachi Hort. ex Shirai. Volatile components in Sudachi (Citrus Sudachi Hort. ex Shirai) juice,
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Volatile components of bittermelon,
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Habu, Flath, et al., 1985
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Volatile components of Rooibos tea (Aspalathus linearis),
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. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
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Alves, S.; Jennings, W.G.,
Volatile composition of certain Amazonian fruits,
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Donetzhuber, Johansson, et al., 1976
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Gas phase characterization of wood, pulp, and paper,
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Notes
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