Acetic acid, methyl ester
- Formula: C3H6O2
- Molecular weight: 74.0785
- IUPAC Standard InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
- CAS Registry Number: 79-20-9
- 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: Methyl acetate; Devoton; Tereton; CH3COOCH3; Methyl ethanoate; Acetate de methyle; Methyl acetic ester; Methylacetaat; Methylacetat; Methyle (acetate de); Methylester kiseliny octove; Metile (acetato di); Ethyl ester of monoacetic acid; UN 1231; Methyl ester of acetic acid; NSC 405071
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Normal alkane RI, 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 | ZB-Wax | TR-WAX | DB-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 60. | 60. | 60. | 60. | 30. |
Carrier gas | Helium | H2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.53 | 0.25 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 1. | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 50. | 35. | 40. |
Tend (C) | 220. | 200. | 180. | 240. | 200. |
Heat rate (K/min) | 4. | 3. | 3. | 4. | 3. |
Initial hold (min) | 5. | 10. | 10. | 5. | 10. |
Final hold (min) | 5. | 10. | 10. | ||
I | 843. | 828. | 813. | 832. | 828. |
Reference | Marin, Pozrl, et al., 2008 | Tena N., Lazzez A., et al., 2007 | Rizzolo, Cambiaghi, et al., 2005 | Chida, Sone, et al., 2004 | Vichi, Castellote, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | HP-Wax | DB-Wax | DB-Wax | HP-Wax |
Column length (m) | 30. | 60. | 60. | 30. | 60. |
Carrier gas | He | He | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 40. | 40. | 25. | 40. |
Tend (C) | 200. | 190. | 200. | 220. | 190. |
Heat rate (K/min) | 3. | 3. | 2. | 4. | 3. |
Initial hold (min) | 10. | 6. | 2. | 6. | |
Final hold (min) | 30. | ||||
I | 826. | 782. | 856. | 822. | 782. |
Reference | Vichi, Pizzale, et al., 2003 | Sanz, Maeztu, et al., 2002 | Umano, Hagi, et al., 2002 | Duque, Bonilla, et al., 2001 | Maeztu, Sanz, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-Wax | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 60. | 60. | 31. |
Carrier gas | He | H2 | H2 | Helium |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.50 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 40. | 30. | 30. | 40. |
Tend (C) | 190. | 180. | 180. | 200. |
Heat rate (K/min) | 3. | 2. | 2. | 10. |
Initial hold (min) | 6. | 2. | 2. | |
Final hold (min) | ||||
I | 782. | 825. | 827. | 837. |
Reference | Sanz, Ansorena, et al., 2001 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Labropoulos, Palmer, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Marin, Pozrl, et al., 2008
Marin, K.; Pozrl, T.; Zlatic, E.; Plestenjak, A.,
A new aroma index to determine the aroma quality of roasted and ground coffee during storage,
Food Technol. Biotechnol., 2008, 46, 4, 442-447. [all data]
Tena N., Lazzez A., et al., 2007
Tena N.; Lazzez A.; Aparicio-Ruiz R.; Garcia-Gonzalez D.L.,
Volatile compounds characterizing tunisian chemiali and chetoui virgin olive oils,
J. Agric. Food Chem., 2007, 55, 19, 7852-7858, https://doi.org/10.1021/jf071030p
. [all data]
Rizzolo, Cambiaghi, et al., 2005
Rizzolo, A.; Cambiaghi, P.; Grassi, M.; Zerbini, P.E.,
Influence of 1-Methylcyclopropene and Storage Atmosphere on Changes in Volatile Compounds and Fruit Quality of Conference Pears,
J. Agric. Food Chem., 2005, 53, 25, 9781-9789, https://doi.org/10.1021/jf051339d
. [all data]
Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H.,
Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system,
J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p
. [all data]
Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6
. [all data]
Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c
. [all data]
Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
. [all data]
Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951
. [all data]
Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S.,
Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix,
Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8
. [all data]
Maeztu, Sanz, et al., 2001
Maeztu, L.; Sanz, C.; Andueza, S.; de Peña, M.P.; Bello, J.; Cid, C.,
Characterization of espresso coffee aroma by static headspace GC-MS and sensory flavor profile,
J. Agric. Food Chem., 2001, 49, 11, 5437-5444, https://doi.org/10.1021/jf0107959
. [all data]
Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [all data]
Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
. [all data]
Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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