Ethyl 2-butenoate
- Formula: C6H10O2
- Molecular weight: 114.1424
- IUPAC Standard InChIKey: ZFDIRQKJPRINOQ-UHFFFAOYSA-N
- CAS Registry Number: 10544-63-5
- 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. - Stereoisomers:
- Other names: 2-Butenoic acid, ethyl ester; ethyl but-2-enoate; ethyl crotonate
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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 | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 | HP-Innowax |
Column length (m) | 30. | 60. | 60. | 10. | 30. |
Carrier gas | Helium | Helium | Helium | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.1 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.1 | 0.5 |
Tstart (C) | 40. | 30. | 30. | 40. | 40. |
Tend (C) | 230. | 200. | 200. | 240. | 200. |
Heat rate (K/min) | 3. | 2. | 2. | 50. | 2. |
Initial hold (min) | 2. | 4. | 4. | 1.5 | 3. |
Final hold (min) | 5. | 30. | 30. | 2. | 15. |
I | 1153. | 1158. | 1158. | 1150. | 1146. |
Reference | Zhao, Xu, et al., 2009 | Beck, Higbee, et al., 2008 | Beck, Higbee, et al., 2008 | Chin, Nazimah, et al., 2007 | Komes, Ulrich, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | CP-Wax 52CB | DB-Wax | DB-Wax | CP-Wax 52CB |
Column length (m) | 50. | 30. | 30. | 50. |
Carrier gas | H2 | He | He | H2 |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.22 | 0.25 | 0.25 | 0.22 |
Tstart (C) | 60. | 20. | 50. | 50. |
Tend (C) | 190. | 200. | 200. | 200. |
Heat rate (K/min) | 2. | 4. | 4. | 2. |
Initial hold (min) | 4. | 4. | 4. | 5. |
Final hold (min) | 21. | 10. | 10. | |
I | 1122. | 1148. | 1161. | 1179.9 |
Reference | Hwan and Chou, 1999 | Morales, Albarracín, et al., 1996 | Morales, Albarracín, et al., 1996 | Chyau, Chen, et al., 1992 |
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.
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Beck, Higbee, et al., 2008
Beck, J.J.; Higbee, B.S.; Marrill, G.B.; Roitman, J.N.,
Comparison of volatile emissions from undamaged and mechanically damaged almonds,
J, Sci. Food Argic., 2008, 88, 8, 1363-1368, https://doi.org/10.1002/jsfa.3224
. [all data]
Chin, Nazimah, et al., 2007
Chin, S.T.; Nazimah, S.A.H.; Quek, S.Y.; Che Man, Y.B.; Rahman, R.A.; Hashim, D.M.,
Analysis of volatile compounds from Malaysian durians (Durio zibethinus) using headspace SPME coupled to fast GC-MS,
J. Food Comp. Anal., 2007, 20, 1, 31-44, https://doi.org/10.1016/j.jfca.2006.04.011
. [all data]
Komes, Ulrich, et al., 2006
Komes, D.; Ulrich, D.; Lovric, T.,
Characterization of odor-active compounds in Croatian Rhine Riesling wine, subregion Zagorje,
Eur. Food Res. Technol., 2006, 222, 1-2, 1-7, https://doi.org/10.1007/s00217-005-0094-y
. [all data]
Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I
. [all data]
Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J.,
Volatile constituents from Andes berry (Rubus glaucus Benth),
J. Hi. Res. Chromatogr., 1996, 19, 10, 585-587, https://doi.org/10.1002/jhrc.1240191011
. [all data]
Chyau, Chen, et al., 1992
Chyau, C.-C.; Chen, S.-Y.; Wu, C.-M.,
Differences of volatile and nonvolatile constituents between mature and ripe guave (Psidium guajava Linn) fruits,
J. Agric. Food Chem., 1992, 40, 5, 846-849, https://doi.org/10.1021/jf00017a028
. [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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