2-Dodecenal, (E)-
- Formula: C12H22O
- Molecular weight: 182.3025
- IUPAC Standard InChI: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
- IUPAC Standard InChIKey: SSNZFFBDIMUILS-ZHACJKMWSA-N
- CAS Registry Number: 20407-84-5
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: (E)-2-Dodecen-1-al; (2E)-2-Dodecenal; 2(E)-Dodecenal; (E)-2-Dodecenal; (E)-Dodec-2-enal; trans-2-Dodecenal; trans-Dodec-2-enal; (E)-dodec-2-en-1-al
- Information on this page:
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 17.4 | kcal/mol | CGC | Koutek, Hoskovec, et al., 1996 | Based on data from 323. to 363. K. See also Ova, Koultek, et al., 2000. |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 249469 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1472. | Tayoub, Schwob, et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
| Capillary | DB-1 | 1439. | Smallfield, Perry, et al., 1994 | H2, 5. K/min; Column length: 9.5 m; Tstart: 50. C; Tend: 260. C |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1860. | Smallfield, Perry, et al., 1994 | H2, 5. K/min; Column length: 30. m; Tstart: 50. C; Tend: 260. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1471. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | MDN-5 | 1464. | Dugo, Mondello, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | SPB-1 | 1442. | Chisholm, Jell, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | SPB-1 | 1442. | Chisholm, Jell, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | DB-5 | 1462. | Choi, 2003 | 30. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-5 | 1462. | Choi, Kim. M.-S.L., et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 70. C @ 2. min, 4. K/min, 230. C @ 20. min |
| Capillary | DB-5 | 1466. | Marques, McElfresh, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 5. K/min, 275. C @ 3. min |
| Capillary | HP-5 | 1452. | Song, Sawamura, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C |
| Capillary | Mega 5MS | 1458. | Verzera, Trozzi, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | DB-1 | 1448. | Specht and Baltes, 1994 | 60. m/0.25 mm/0.25 μm, 35. C @ 10. min, 2. K/min, 280. C @ 10. min |
| Capillary | OV-101 | 1444. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1445. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1467.5 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1835. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 30. m; Column diameter: 0.32 mm |
| Capillary | Innowax | 1866. | Chisholm, Jell, et al., 2003 | 15. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | DB-Wax | 1872. | Choi, 2003 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1851. | Choi, Kim. M.-S.L., et al., 2002 | 60. m/0.25 mm/0.25 μm, N2, 2. K/min, 230. C @ 20. min; Tstart: 70. C |
| Capillary | DB-Wax | 1867. | Choi and Sawamura, 2000 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1844. | Marques, McElfresh, et al., 2000 | 30. m/0.32 mm/0.25 μm, 100. C @ 1. min, 5. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1468. | Morteza-Semnani, Saeedi, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-5 | 1460. | Choi, 2006 | 30. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | OV-101 | 1445. | Yang, 2001 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1444. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1445. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1445. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1482. | Dharmawan, Kasapis, et al., 2009 | 60. m/0.32 mm/1.0 μm, Helium; Program: 120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min) |
| Capillary | CP Sil 8 CB | 1466. | Mockute, Bernotiene, et al., 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C (5 min) |
| Capillary | SE-54 | 1468. | Buettner, Mestres, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) |
| Capillary | OV-101 | 1444. | Yang, 2001 | N2; Column length: 50. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1871. | Choi, 2006 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | Supelcowax-10 | 1889. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | Supelcowax-10 | 1889. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | Supelcowax-10 | 1901. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | DB-Wax | 1865. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1867. | Choi, 2004, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1867. | Tu, Thanh, et al., 2002 | 60. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C |
| Capillary | DB-Wax | 1887. | Chung, Eiserich, et al., 1993 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1849. | Kosar, Özek, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | FFAP | 1838. | Buettner, Mestres, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Koutek, Hoskovec, et al., 1996
Koutek, Bohumir; Hoskovec, Michal; Vrkocov, Pavlína; Konecný, Karel; Feltl, Ladislav; Vrkoc, Jan,
Gas chromatographic determination of vapour pressures of pheromone-like compounds III. Aldehydes,
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Ova, Koultek, et al., 2000
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Tayoub, Schwob, et al., 2006
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Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
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Smallfield, Perry, et al., 1994
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Effects of postharvest treatments on yield and composition of coriander herb oil,
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Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
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Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
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Kováts retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends,
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Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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