1-Penten-3-one
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI: InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
- IUPAC Standard InChIKey: JLIDVCMBCGBIEY-UHFFFAOYSA-N
- CAS Registry Number: 1629-58-9
- 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: Ethyl vinyl ketone; C2H5COCH=CH2; Vinyl ethyl ketone; Ketone, ethyl vinyl; 1-Pentene-3-one; Pent-1-en-3-one; 1-penten-3-one (ethyl vinyl ketone); penten-3-one
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Van Den Dool and Kratz 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 | Supelcowax-10 | CP-Wax 52CB | HP-FFAP | HP-Innowax | FFAP |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) | 40C(4min) => 10C/min => 70C => 5C/min => 150C => 10C/min => 250C (10min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) |
| I | 1024. | 1023. | 1034. | 1041. | 1026. |
| Reference | Bianchi, Careri, et al., 2007 | Condurso, Verzera, et al., 2006 | Carrapiso, Ventanas, et al., 2002 | Koprivnjak, Conte, et al., 2002 | Buettner and Schieberle, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | FFAP | DB-Wax | C30W |
| Column length (m) | 30. | 30. | |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.5 | |
| Program | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) | 50C => 3C/min => 180C => 5C/min => 250C (15min) | not specified |
| I | 1026. | 1018. | 973. |
| Reference | Hinterholzer, Lemos, et al., 1998 | Prost, Serot, et al., 1998 | Ullrich and Grosch, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S.,
The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679
. [all data]
Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C.,
Characterization of the most odor-active compounds of Iberian ham headspace,
J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e
. [all data]
Koprivnjak, Conte, et al., 2002
Koprivnjak, O.; Conte, L.; Totis, N.,
Influence of olive fruit storage in bags on oil quality and composition of volatile compounds,
Food Technol. Biotechnol., 2002, 40, 2, 129-134. [all data]
Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P.,
Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden),
J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
Prost, Serot, et al., 1998
Prost, C.; Serot, T.; Demaimay, M.,
Identification of the most potent odorants in wild and farmed cooked turbot (Scophtalamus maximus L.),
J. Agric. Food Chem., 1998, 46, 8, 3214-3219, https://doi.org/10.1021/jf980128o
. [all data]
Ullrich and Grosch, 1988
Ullrich, F.; Grosch, W.,
Identification of the most intense odor compounds formed during autoxidation of methyl linolenate at room temperature,
J. Amer. Oil Chem. Soc., 1988, 65, 8, 1313-1317, https://doi.org/10.1007/BF02542413
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.