2-Undecanone
- Formula: C11H22O
- Molecular weight: 170.2918
- IUPAC Standard InChI: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
- IUPAC Standard InChIKey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
- CAS Registry Number: 112-12-9
- 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. - Species with the same structure:
- Other names: Ketone, methyl nonyl; Methyl n-nonyl ketone; Methyl nonyl ketone; Nonyl methyl ketone; 2-Hendecanone; Undecanone-(2); Mgk dog & cat repellent; Undecan-2-one; Mgk dog and cat repellent
- Information on this page:
- Other data available:
- Options:
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Van Den Dool and Kratz 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 | HP-5MS | SPB-5 | RTX-1 | HP-5MS | HP-5MS |
| Column length (m) | 30. | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 60. | 60. |
| Tend (C) | 250. | 230. | 230. | 280. | 280. |
| Heat rate (K/min) | 2. | 3. | 2. | 4. | 3. |
| Initial hold (min) | 8. | 2. | 5. | ||
| Final hold (min) | 30. | 10. | 35. | ||
| I | 1294. | 1295. | 1274. | 1294. | 1291. |
| Reference | Benkaci-Ali, Baaliouamer, et al., 2007 | Engel and Ratel, 2007 | Paolini, Muselli, et al., 2007 | Saroglou, Marin, et al., 2007 | Vagionas, Ngassapa, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | SPB-1 | HP-5MS | HP-5MS |
| Column length (m) | 20. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 80. |
| Tend (C) | 240. | 250. | 250. | 280. | 300. |
| Heat rate (K/min) | 5. | 3. | 5. | 4. | 4. |
| Initial hold (min) | 4. | 3. | 5. | ||
| Final hold (min) | 15. | 15. | |||
| I | 1293. | 1296. | 1302. | 1293. | 1294.3 |
| Reference | Kallio, Jussila, et al., 2006 | Perraudin, Popovici, et al., 2006 | Radulovic, Mananjarasoa, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Zhao C.X., Li, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB | BP-1 | DB-5MS | HP-5 |
| Column length (m) | 25. | 25. | 50. | 30. | 30. |
| Carrier gas | H2 | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.4 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 80. | 80. | 60. | 40. | 60. |
| Tend (C) | 270. | 270. | 220. | 200. | 220. |
| Heat rate (K/min) | 10. | 10. | 2. | 5. | 5. |
| Initial hold (min) | 5. | 10. | |||
| Final hold (min) | 20. | 45. | |||
| I | 1273. | 1273. | 1273. | 1290. | 1292. |
| Reference | Ziegenbein, Hanssen, et al., 2006 | Ziegenbein, Hanssen, et al., 2006, 2 | Boti J.B., Koukoua G., et al., 2005 | Carunchia Whetstine, Croissant, et al., 2005 | Celik, Gokturk, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Sil 8CB-MS | HP-5MS | HP-5 | SPB-5 | CP-Sil 8CB-MS |
| Column length (m) | 0. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.53 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.5 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 100. | 40. |
| Tend (C) | 280. | 280. | 220. | 250. | 280. |
| Heat rate (K/min) | 4. | 3. | 5. | 5. | 4. |
| Initial hold (min) | 2. | 10. | 2. | ||
| Final hold (min) | 5. | 5. | |||
| I | 1296. | 1292. | 1293. | 1297. | 1298. |
| Reference | Elmore, Cooper, et al., 2005 | Aligiannis, Kalpoutzakis, et al., 2004 | Ceccarini, Macchia, et al., 2004 | Rodríguez-Burruezo, Kollmannsberger, et al., 2004 | Bruna, Hierro, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | MS5 | DB-1 | DB-5 | HP-1 | HP-5MS |
| Column length (m) | 25. | 30. | 30. | 24. | 30. |
| 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 | 1. | 0.17 | 0.25 |
| Tstart (C) | 40. | 40. | 50. | 60. | 50. |
| Tend (C) | 180. | 325. | 200. | 250. | 250. |
| Heat rate (K/min) | 3. | 3. | 2.5 | 4. | 5. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 20. | 5. | |||
| I | 1297. | 1271.7 | 1293.4 | 1273. | 1288. |
| Reference | Shao, Marriott, et al., 2003 | Sun and Stremple, 2003 | Xu, van Stee, et al., 2003 | Nath, Sarma, et al., 2002 | Shang, Hu, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | DB-5 | OV-1 |
| Column length (m) | 60. | 30. | 30. | 30. | 20. |
| Carrier gas | He | H2 | H2 | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 1. | 1. | 1. | 0.3 |
| Tstart (C) | 40. | 40. | 40. | 40. | 45. |
| Tend (C) | 290. | 210. | 210. | 210. | 220. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 10. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 5. | 10. | |||
| I | 1276. | 1295. | 1296. | 1300. | 1279. |
| Reference | Bartley and Jacobs, 2000 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Valero, Sanz, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-1 | DB-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 20. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | H2 | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.3 | 1. | 1. | 1. | 1. |
| Tstart (C) | 45. | 40. | 40. | 40. | 40. |
| Tend (C) | 220. | 210. | 210. | 220. | 220. |
| Heat rate (K/min) | 10. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 10. | ||||
| I | 1279. | 1295. | 1296. | 1295. | 1296. |
| Reference | Valero, Sanz, et al., 1999 | Moio and Addeo, 1998 | Moio and Addeo, 1998 | Moio L., Rillo L., et al., 1996 | Moio L., Rillo L., et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-1 | SE-30 | OV-101 | OV-1 |
| Column length (m) | 60. | 50. | 22. | 50. | 60. |
| Carrier gas | H2 | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.30 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 1.05 | 1.0 | 0.50 | |
| Tstart (C) | 50. | 40. | 60. | 50. | 50. |
| Tend (C) | 250. | 260. | 250. | 250. | 225. |
| Heat rate (K/min) | 2.5 | 2. | 2. | 2. | 1.5 |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 50. | ||||
| I | 1276. | 1269. | 1270. | 1274. | 1274. |
| Reference | Stashenko, Villa, et al., 1995 | Kuo and Ho, 1992 | de Frutos, Sanz, et al., 1991 | Misharina, Aerove, et al., 1991 | Chen and Ho, 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Capillary | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | DB-5 | OV-101 | OV-1 | Apiezon M | Apiezon M |
| Column length (m) | 30. | 2.5 | 183. | 1.5 | 1.5 |
| Carrier gas | He | N2 | N2 | ||
| Substrate | Gas-Chrom Q | Celite 545 | Celite 545 | ||
| Column diameter (mm) | 0.26 | 0.762 | |||
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 50. | 50. | 0. | 75. | 75. |
| Tend (C) | 300. | 220. | 230. | 200. | 200. |
| Heat rate (K/min) | 6. | 2. | 1. | 6. | 6. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | 20. | ||||
| I | 1292. | 1277. | 1274. | 1257. | 1259. |
| Reference | Rostad and Pereira, 1986 | Nixon, Wong, et al., 1979 | Schreyen, Dirinck, et al., 1976 | Golovnya and Uraletz, 1971 | Golovnya and Uraletz, 1971 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed | Packed |
|---|---|---|
| Active phase | Apiezon M | SE-30 |
| Column length (m) | 1.5 | |
| Carrier gas | N2 | |
| Substrate | Celite 545 | Celite |
| Column diameter (mm) | ||
| Phase thickness (μm) | ||
| Tstart (C) | 75. | 75. |
| Tend (C) | 200. | 228. |
| Heat rate (K/min) | 6. | |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1261. | 1280. |
| Reference | Golovnya and Uraletz, 1971 | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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Notes
Go To: Top, Van Den Dool and Kratz RI, non-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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