2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-
- Formula: C13H18O
- Molecular weight: 190.2814
- IUPAC Standard InChIKey: POIARNZEYGURDG-FNORWQNLSA-N
- CAS Registry Number: 23726-93-4
- 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:
- Stereoisomers:
- Other names: β-Damascenone; trans-β-Damascenone; Damascenone; Damascenone, trans-; 2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene; (2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; β-(E)-Damascenone; 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, trans-; (2 E)-1-(2,6,6-trimethylcyclohexane-1,3-dien-1-yl)but-2-en-1-one; (E)-β-Damascenone; trans-Damascenone; 36649-63-5; 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one (β-damascenone); (2 E)-1-(2,6,6-trimethylcyclohexane-1,3-dien-1-yl)but-2-en-1-one (β-damascenone); (E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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 | SLB-5 MS | SLB-5 MS | SLB-5 MS | SLB-5 MS | Polydimethyl siloxane with 5 % Ph groups |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | not specified | not specified | not specified |
I | 1413. | 1417. | 1383. | 1387. | 1387. |
Reference | Mondello, 2012 | Mondello, 2012 | Mondello, 2012 | Mondello, 2012 | Robinson, Adams, et al., 2012 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane with 5 % Ph groups | HP-5 MS | CP Sil-5 CB | DB-5 | CP-Sil 5 CB |
Column length (m) | 30. | 50. | 30. | 50. | |
Carrier gas | Helium | Nitrogen | Hydrogen | Nitrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 1.20 | 0.50 | 1.20 | |
Program | not specified | 60 0C (1 min) 10 0C -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 250 0C |
I | 1389. | 1382. | 1368. | 1392. | 1368. |
Reference | Robinson, Adams, et al., 2012 | Chu, Liu, et al., 2011 | Bailly and Collin, 2010 | San-Juan, Petka, et al., 2010 | Bailly, Jerkovic, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 5 Cb | SLB-5MS | RTX-5 | RTX-5 | HP-5 |
Column length (m) | 50. | 10. | 30. | 30. | 30. |
Carrier gas | Nitrogen | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.18 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1.20 | 0.18 | 0.25 | 0.25 | 0.25 |
Program | 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | not specified | 60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min) | not specified | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
I | 1358. | 1379. | 1389. | 1385. | 1387. |
Reference | Collin, Nizet, et al., 2008 | Risticevic, Carasek, et al., 2008 | Zachariah, Leela, et al., 2008 | Zachariah, Leela, et al., 2008 | Zhao, Li, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | SPB-1 | SPB-1 | DB-5 |
Column length (m) | 30. | 30. | 50. | 50. | 30. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) | 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) | 40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min) |
I | 1381. | 1389. | 1367. | 1367. | 1380. |
Reference | Zhao, Li, et al., 2008 | Buettner, 2007 | Díaz-Maroto, Castillo, et al., 2007 | Díaz-Maroto, Castillo, et al., 2007 | Greger and Schieberle, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | HP-5 | DB-5 | HP-5 MS | CP-Sil 5 CB |
Column length (m) | 30. | 30. | 30. | 50. | |
Carrier gas | He | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.20 | |
Program | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | not specified | not specified | not specified | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C |
I | 1389. | 1387. | 1380. | 1357. | 1368. |
Reference | Lasekan, Buettner, et al., 2007 | Liolios, Laouer, et al., 2007 | Machado, Bastos, et al., 2007 | Sharififar, Mozaffarian, et al., 2007 | Bailly, Jerkovic, 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-Sil5 CB MS | HP-5 | HP-5 | HP-5MS |
Column length (m) | 50. | 50. | 30. | 30. | 30. |
Carrier gas | He | N2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1.2 | 1.2 | 0.25 | 0.25 | 0.25 |
Program | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | >2.5C/min => 180C => 100C/min => 250C (7.3min) | >2.5C/min => 180C => 100C/min => 250C (7.3min) | 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C |
I | 1368. | 1369. | 1395. | 1395. | 1382. |
Reference | Bailly, Jerkovic, et al., 2006, 2 | Callemien, Dasnoy, et al., 2006 | Goodner, Mahattanatawee, et al., 2006 | Goodner, Mahattanatawee, et al., 2006 | Senatore, Apostolides Arnold, 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 | Polydimethyl siloxane with 5 % Ph groups | HP-5 | DB-5 |
Column length (m) | 50. | 50. | 30. | ||
Carrier gas | Nitrogen | Nitrogen | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1.2 | 1.20 | 0.25 | ||
Program | 36 0C 20 0C/min -> 85 0C 1 iC/min -> 145 0C 3 0C/min -> 250 0C | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C | not specified | not specified | 40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) |
I | 1369. | 1369. | 1380. | 1386. | 1394. |
Reference | Callamien, Dasnoy, et al., 2005 | Callemien, Dasnoy, et al., 2005 | Pino, Marbot, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Tokitomo, Steihaus, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | MFE-73 | SE-30 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | not specified | not specified |
I | 1389. | 1389. | 1389. | 1392. | 1361. |
Reference | Buettner and Welle, 2004 | Buettner, 2004 | Buettner, 2004 | Escudero, Gogorza, et al., 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | HP-5MS | DB-1 | MFE-73 | CP-Sil 5 CB |
Column length (m) | 30. | 30. | 50. | ||
Carrier gas | He | He | H2 | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 1.20 | ||
Program | not specified | 40C(5min) => 2C/min => 120C => 10C/min => 210C (30min) | 60C => 4C/min => 200C (5min) => 10C/min => 280C (20min) | not specified | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) |
I | 1360. | 1380. | 1363. | 1392. | 1372. |
Reference | Vinogradov, 2004 | Martí, Mestres, et al., 2003 | Variyar, Ahmad, et al., 2003 | Ferreira, Ortín, et al., 2002 | Gijs, Chevanese, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | DB-5 | MFE-73 | CP Sil 8 CB | MFE-73 |
Column length (m) | 60. | 30. | 60. | 30. | |
Carrier gas | He | H2 | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.1 | 0.25 | 0.1 | |
Program | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 250C(15min) | not specified | 40C(5min) => 2C/min => 120C => 10C/min => 210C(30min) | not specified | 40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min) |
I | 1400. | 1386. | 1392. | 1385. | 1392. |
Reference | Landy, Boucon, et al., 2002 | Staples E.S., 2002 | Aznar, López, et al., 2001 | Duckham, Dodson, et al., 2001 | Ferreira, Aznar, et al., 2001 |
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 | DB-5 | SF-96 | OV-101 |
Column length (m) | 50. | 50. | 30. | 40. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.28 | |
Phase thickness (μm) | 1.2 | 1.2 | 0.25 | ||
Program | 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) | 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) | 40C => 2C/min => 60C => 4C/min => 260C | 75C => 3C/min => 190C(25min) => 3C/min => 210C | not specified |
I | 1372. | 1372. | 1381. | 1369. | 1357. |
Reference | Lermusieau, Bulens, et al., 2001 | Lermusieau, Bulens, et al., 2001 | Andrade, Maia, et al., 2000 | Kawasaki, Matsui, et al., 1998 | Licker, Acree, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | DB-5 | SE-54 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 35C => 40C/min => 50C(2min) => 4C/min => 240C |
I | 1385. | 1388. | 1395. | 1395. | 1386. |
Reference | Matsui, Guth, et al., 1998 | Reiners and Grosch, 1998 | Guth, 1997 | Guth, 1997 | Schieberle and Grosch, 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | SE-54 | SE-54 |
Column length (m) | 30. | 30. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.32 | 0.32 |
Phase thickness (μm) | 0.3 | 0.3 |
Program | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) |
I | 1395. | 1395. |
Reference | Blank, Fischer, et al., 1989 | Blank, Fischer, et al., 1989 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
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Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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