1-Octen-3-one
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChIKey: KLTVSWGXIAYTHO-UHFFFAOYSA-N
- CAS Registry Number: 4312-99-6
- 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. - Species with the same structure:
- Other names: Vinyl amyl ketone; Pentyl vinyl ketone; Amyl vinyl ketone; 1-Octene-3-one; Oct-1-en-3-one; octen-3-one, 1
- Information on this page:
- Other data available:
- Options:
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 | AT-Wax | DB-Wax | TC-Wax | FFAP | DB-Wax |
Column length (m) | 60. | 30. | 60. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Hydrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 40. | 40. | 40. | 30. |
Tend (C) | 280. | 210. | 230. | 240. | 230. |
Heat rate (K/min) | 4. | 3. | 3. | 6. | 8. |
Initial hold (min) | 3. | 2. | 5. | ||
Final hold (min) | 10. | ||||
I | 1274. | 1298. | 1320. | 1295. | 1310. |
Reference | Kiss, Csoka, et al., 2011 | Kumazawa, Sakai, et al., 2010 | Miyazawa, Fujita, et al., 2010 | Christlbauer and Schieberle, 2009 | Karlsson, Birgersson, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | TC-WAX | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 0. | 40. | 60. | 60. | 60. |
Tend (C) | 200. | 230. | 200. | 200. | 200. |
Heat rate (K/min) | 6. | 3. | 8. | 8. | 8. |
Initial hold (min) | 2. | 3. | 3. | 3. | 3. |
Final hold (min) | 9.5 | 9.5 | 9.5 | ||
I | 1297. | 1300. | 1310. | 1313. | 1327. |
Reference | Laselan, Buettner, et al., 2009 | Miyazawa, Tomita, et al., 2009 | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Stabilwax | DB-Wax | CP-Wax 52CB |
Column length (m) | 30. | 60. | 30. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.35 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.5 | |
Tstart (C) | 60. | 50. | 35. | 40. | 40. |
Tend (C) | 200. | 220. | 225. | 200. | 220. |
Heat rate (K/min) | 8. | 3. | 6. | 4. | 4. |
Initial hold (min) | 3. | 2. | 5. | 8. | |
Final hold (min) | 9.5 | 70. | 10. | 20. | |
I | 1331. | 1300. | 1296. | 1309. | 1309. |
Reference | Rochat, Egger, et al., 2009 | Shimizu, Imayoshi, et al., 2009 | Watcharananun, Cadwallader, et al., 2009 | Ganeko, Shoda, et al., 2008 | Povolo, Contarini, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-FFAP | BP-20 | HP-Innowax | DB-Wax |
Column length (m) | 30. | 30. | 50. | 60. | 60. |
Carrier gas | He | He | H2 | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 45. | 60. | 35. |
Tend (C) | 230. | 230. | 230. | 220. | 240. |
Heat rate (K/min) | 4. | 6. | 3. | 2. | 6. |
Initial hold (min) | 2. | 1. | 1. | 3. | |
Final hold (min) | 5. | 15. | 10. | 10. | |
I | 1305. | 1300. | 1290. | 1315. | 1304. |
Reference | Xu, Fan, et al., 2007 | Zeller and Rychlik, 2007 | La Guerche S., Dauphin B., et al., 2006 | Senger-Emonnot, Rochard, et al., 2006 | Spadone, Matthey-Doret, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | ZB-Wax | ZB-Wax |
Column length (m) | 60. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.53 | 0.53 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 240. | 240. | 240. | 250. | 250. |
Heat rate (K/min) | 4. | 4. | 4. | 5. | 5. |
Initial hold (min) | 2. | 2. | 2. | 2. | 2. |
Final hold (min) | 20. | 20. | 20. | 5. | 5. |
I | 1324. | 1324. | 1328. | 1279. | 1282. |
Reference | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | N/A | N/A |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-Wax | DB-Wax | ZB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | H2 | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 230. | 250. | 200. | 220. |
Heat rate (K/min) | 5. | 5. | 5. | 4. | 3. |
Initial hold (min) | 2. | 2. | 2. | 5. | 5. |
Final hold (min) | 10. | 15. | 10. | ||
I | 1282. | 1279. | 1282. | 1317. | 1309. |
Reference | Wu, Krings, et al., 2005 | Wu, Krings, et al., 2005 | Wu, Krings, et al., 2005 | Culleré, Escudero, et al., 2004 | López, Ezpeleta, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | DB-Wax | DB-FFAP | BP-20 | DB-Wax |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | He | H2 | H2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.3 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 35. | 45. | 40. |
Tend (C) | 120. | 200. | 240. | 230. | 210. |
Heat rate (K/min) | 5. | 4. | 8. | 3. | 5. |
Initial hold (min) | 5. | 5. | 2.5 | 1. | |
Final hold (min) | 3. | 2. | 10. | ||
I | 1309. | 1313. | 1295. | 1291. | 1301. |
Reference | López, Guzmán, et al., 2004 | López, Ortín, et al., 2003 | Triqui and Bouchriti, 2003 | Darriet, Pons, et al., 2002 | Kumazawa and Masuda, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-FFAP | EC-1000 | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.53 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 1. |
Tstart (C) | 40. | 40. | 40. | 35. | 40. |
Tend (C) | 210. | 240. | 230. | 230. | 225. |
Heat rate (K/min) | 5. | 7. | 6. | 5. | 6. |
Initial hold (min) | 2. | 5. | 5. | ||
Final hold (min) | 5. | 5. | 15. | 30. | |
I | 1302. | 1309. | 1290. | 1300. | 1291. |
Reference | Kumazawa and Masuda, 2002 | Lin, Rouseff, et al., 2002 | Sanz, Czerny, et al., 2002 | Bendall, 2001 | Cadwallader and Heo, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | DB-FFAP | FFAP | Supelcowax-10 | DB-Wax |
Column length (m) | 50. | 30. | 30. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 35. | 40. | 40. | 35. | 30. |
Tend (C) | 230. | 195. | 230. | 200. | 170. |
Heat rate (K/min) | 6. | 5. | 6. | 4. | 2. |
Initial hold (min) | 5. | 2. | 10. | 4. | |
Final hold (min) | 15. | 40. | 5. | 60. | |
I | 1305. | 1285. | 1296. | 1333. | 1297. |
Reference | Preininger and Ullrich, 2001 | Suriyaphan, Drake, et al., 2001 | Czerny and Grosch, 2000 | Girard and Durance, 2000 | Buttery, Orts, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.53 | 0.53 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | ||
Tstart (C) | 60. | 60. | 40. | 40. | 60. |
Tend (C) | 210. | 210. | 210. | 210. | 240. |
Heat rate (K/min) | 4. | 4. | 5. | 5. | 4. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1315. | 1312. | 1309. | 1307. | 1310. |
Reference | Iwatsuki, Mizota, et al., 1999 | Iwatsuki, Mizota, et al., 1999 | Kumazawa and Masuda, 1999 | Kumazawa and Masuda, 1999 | Ngassoum, Yonkeu, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 60. | 30. |
Carrier gas | He | He | Helium | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.33 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.50 | |
Tstart (C) | 34. | 34. | 40. | 30. | 35. |
Tend (C) | 200. | 200. | 200. | 170. | 250. |
Heat rate (K/min) | 5. | 5. | 6. | 2. | 4. |
Initial hold (min) | 3. | 3. | 5. | 4. | 0.5 |
Final hold (min) | 10. | 10. | 30. | 30. | |
I | 1325. | 1279. | 1298. | 1297. | 1312. |
Reference | Schlüter, Steinhart, et al., 1999 | Schlüter, Steinhart, et al., 1999 | Suriyaphan, Drake, et al., 1999 | Buttery and Ling, 1998 | Farkas, Sádecká, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | DB-Wax | Carbowax | Carbowax 20M |
Column length (m) | 15. | 30. | 60. | 3. | 150. |
Carrier gas | He | He | He | ||
Substrate | Chromosorb G AW DMCS | ||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.64 | |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 50. | 20. | 60. | 60. | 50. |
Tend (C) | 225. | 230. | 180. | 180. | 170. |
Heat rate (K/min) | 6. | 5. | 2. | 4. | 1. |
Initial hold (min) | 3. | 1. | 4. | 10. | |
Final hold (min) | 60. | ||||
I | 1304. | 1284. | 1290. | 1290. | 1290. |
Reference | Roberts and Acree, 1996 | Christensen and Reineccius, 1995 | Kobayashi, Tsuda, et al., 1995 | Schieberle and Grosch, 1983 | Seifert and King, 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 150. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.64 |
Phase thickness (μm) | |
Tstart (C) | 50. |
Tend (C) | 170. |
Heat rate (K/min) | 1. |
Initial hold (min) | 30. |
Final hold (min) | |
I | 1290. |
Reference | Buttery and Kamm, 1980 |
Comment | 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.
Kiss, Csoka, et al., 2011
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Christlbauer and Schieberle, 2009
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Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis,
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Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles,
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Darriet, Pons, et al., 2002
Darriet, P.; Pons, M.; Henry, R.; Dumont, O.; Findeling, V.; Cartolaro, P.; Calonnec, A.; Dubourdieu, D.,
Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae,
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Kumazawa and Masuda, 2002
Kumazawa, K.; Masuda, H.,
Identification of potent odorants in different green tea varieties using flavor dilution technique,
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Lin, Rouseff, et al., 2002
Lin, J.; Rouseff, R.L.; Barros, S.; Naim, M.,
Aroma composition changes in early season grapefruit juice produced from thermal concentration,
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Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P.,
Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA),
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Kumazawa and Masuda, 1999
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Notes
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