cis-Dodec-5-enal
- 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/h7-8,12H,2-6,9-11H2,1H3/b8-7-
- IUPAC Standard InChIKey: MXYKXSMSECVABY-FPLPWBNLSA-N
- CAS Registry Number: 68820-33-7
- 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. - Stereoisomers:
- Other names: 5-Dodecenal, Z; (Z)-5-Dodecenal
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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° | 16.5 | kcal/mol | CGC | Koutek, Hoskovec, et al., 1996 | Based on data from 323. - 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
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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 | MASS SPECTRA OF ORGANIC COMPOUNDS, CSIRO, B.H. KENNETT ET AL |
| NIST MS number | 69711 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1364. | 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 | 1364. | 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 | 1389. | Marques, McElfresh, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 5. K/min, 275. C @ 3. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1753. | 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 | 1724. | 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1405. | 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) |
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,
Journal of Chromatography A, 1996, 719, 2, 391-400, https://doi.org/10.1016/0021-9673(95)00740-7
. [all data]
Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M.,
Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [all data]
Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr.,
Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188
. [all data]
Marques, McElfresh, et al., 2000
Marques, F.A.; McElfresh, J.S.; Millar, J.G.,
Kováts retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends,
J. Braz. Chem. Soc., 2000, 11, 6, 592-599, https://doi.org/10.1590/S0103-50532000000600007
. [all data]
Dharmawan, Kasapis, et al., 2009
Dharmawan, J.; Kasapis, S.; Sriramula, P.; Lear, M.J.; Curran, P.,
Evaluation of aroma-active compounds in Pontianak orange peel oil (Citrus nobilis Lour. var. microcarpa Hassk.) by gas chromatography - olfactometry, aroma reconstitution, and omission test,
J. Agric. Food Chem., 2009, 57, 1, 239-244, https://doi.org/10.1021/jf801070r
. [all data]
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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