2,6-Octadienal, 3,7-dimethyl-, (Z)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
- IUPAC Standard InChIKey: WTEVQBCEXWBHNA-YFHOEESVSA-N
- CAS Registry Number: 106-26-3
- 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: β-Citral; cis-Citral; cis-3,7-Dimethyl-2,6-octadienal; beta-Citral; Neral; Z-Citral; (Z)-3,7-Dimethyl-2,6-octadienal; Citral B; (2Z)-3,7-Dimethyl-2,6-octadienal; 2,6-Octadienal, 3,7-dimethyl-, (2Z)-; (Z)-Neral; Neroli aldehyde; (Z)-3,7-Dimethylocta-2,6-dienal; Z-Citral (neral)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz 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 | DB-Wax | RTX-Wax | DB-Wax | DB-Wax | Supelcowax-10 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.25 | 0.2 |
| Tstart (C) | 40. | 60. | 40. | 50. | 70. |
| Tend (C) | 240. | 230. | 250. | 220. | 220. |
| Heat rate (K/min) | 7. | 2. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 4. | |||
| Final hold (min) | 5. | 35. | 15. | 20. | 15. |
| I | 1696. | 1673. | 1681. | 1678. | 1679. |
| Reference | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | Paolini J., Costa J., et al., 2007 | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Osorio, Alarcon, et al., 2006 | Pinto, Pina-Vaz, 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 | BP-20 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 50. | 60. | 30. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 60. | 70. | 40. | 40. |
| Tend (C) | 220. | 220. | 230. | 250. | 250. |
| Heat rate (K/min) | 3. | 2. | 2. | 3. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 15. | 20. | 20. | 20. | 20. |
| I | 1679. | 1678. | 1695. | 1660. | 1663. |
| Reference | Salgueiro L.R., Pinto E., et al., 2006 | Boti J.B., Koukoua G., et al., 2005 | Choi, 2005 | Fanciullino, Gancel, et al., 2005 | Gancel, Ollitrault, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Supelcowax-10 | Carbowax 20M | Megawax |
| Column length (m) | 30. | 60. | 60. | 60. | 30. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.2 | 0.25 | 0.25 |
| Tstart (C) | 40. | 70. | 60. | 45. | 40. |
| Tend (C) | 240. | 230. | 200. | 250. | 220. |
| Heat rate (K/min) | 7. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 2. | 0.17 | 6. | ||
| Final hold (min) | 5. | 20. | 10. | 10. | |
| I | 1692. | 1686. | 1633. | 1662. | 1645. |
| Reference | Mahattanatawee, Rouseff, et al., 2005 | Njoroge, Koaze, et al., 2005 | Smadja, Rondeau, et al., 2005 | Verzera, Campisi, et al., 2005 | Verzera, Trozzi, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | HP-20M | Supelcowax | Supelcowax | DB-Wax |
| Column length (m) | 30. | 50. | 25. | 25. | 60. |
| Carrier gas | He | He | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 70. | 35. | 35. | 70. |
| Tend (C) | 240. | 180. | 225. | 225. | 230. |
| Heat rate (K/min) | 3. | 4. | 4. | 4. | 2. |
| Initial hold (min) | 6. | 4. | 5. | 5. | 2. |
| Final hold (min) | 10. | 10. | 10. | 10. | 20. |
| I | 1656. | 1633. | 1705. | 1705. | 1695. |
| Reference | Dugo, Mondello, et al., 2004 | Skocibusic and Bezic, 2004 | Chisholm, Wilson, et al., 2003 | Chisholm, Wilson, et al., 2003 | Choi, 2003 |
| 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 | HP-20M | HP20Wax |
| Column length (m) | 60. | 60. | 30. | 50. | 50. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.2 | 0.2 |
| Tstart (C) | 40. | 40. | 40. | 70. | 70. |
| Tend (C) | 210. | 245. | 240. | 180. | 180. |
| Heat rate (K/min) | 2. | 1.5 | 7. | 5. | 4. |
| Initial hold (min) | 4. | 4. | |||
| Final hold (min) | 40. | 20. | 5. | 10. | 10. |
| I | 1667. | 1663. | 1690. | 1641. | 1641. |
| Reference | Chyau, Ko, et al., 2003 | Gancel, Ollitrault, et al., 2003 | Högnadóttir and Rouseff, 2003 | Radonic and Milso, 2003 | Skocibusic and Bezic, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Megawax | BP-20 | RTX-Wax | BP-20 | DB-Wax |
| Column length (m) | 30. | 50. | 30. | 50. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.50 |
| Tstart (C) | 40. | 60. | 45. | 60. | 40. |
| Tend (C) | 220. | 220. | 250. | 220. | 240. |
| Heat rate (K/min) | 2. | 2. | 3. | 2. | 7. |
| Initial hold (min) | 6. | 6. | |||
| Final hold (min) | 10. | 20. | 10. | 20. | 5. |
| I | 1645. | 1674. | 1659. | 1677. | 1693. |
| Reference | Verzera, Trozzi, et al., 2003 | Lota, de Rocca Serra, et al., 2002 | Mondello, Zappia, et al., 2002 | Pintore, Usai, et al., 2002 | Lin and Rouseff, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | HP-20M | HP-20M | AT-Wax | CP-Wax 52CB |
| Column length (m) | 50. | 50. | 50. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.20 | 0.20 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.20 | 0.20 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 70. | 65. | 45. |
| Tend (C) | 220. | 180. | 180. | 250. | 250. |
| Heat rate (K/min) | 2. | 4. | 4. | 2. | 2. |
| Initial hold (min) | 4. | 4. | 10. | 0.17 | |
| Final hold (min) | 10. | 10. | 60. | ||
| I | 1674. | 1633. | 1641. | 1663. | 1662. |
| Reference | Lota, Serra, et al., 2001 | Milos, Radonic, et al., 2001 | Milos, Radonic, et al., 2001 | Pino and Marbot, 2001 | Verzera, Campisi, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | CP-Wax 52CB | DB-Wax | BP-20 |
| Column length (m) | 60. | 60. | 25. | 60. | 50. |
| Carrier gas | He | He | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.5 | 0.53 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.32 | 1.0 | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 40. | 70. | 60. |
| Tend (C) | 290. | 220. | 220. | 230. | 230. |
| Heat rate (K/min) | 4. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 5. | 2. | ||
| Final hold (min) | 5. | 20. | 35. | ||
| I | 1697. | 1682. | 1682. | 1697. | 1674. |
| Reference | Bartley and Jacobs, 2000 | Brophy, Goldsack, et al., 2000 | Chagonda, Makanda, et al., 2000 | Choi and Sawamura, 2000 | Lota, de Rocca Serra, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Megawax | BP-20 | BP-20 | DB-Wax | DB-Wax |
| Column length (m) | 30. | 50. | 50. | 60. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 40. | 60. | 60. | 40. | 40. |
| Tend (C) | 220. | 230. | 230. | 200. | 245. |
| Heat rate (K/min) | 2. | 2. | 2. | 3. | 3. |
| Initial hold (min) | 6. | 5. | 3. | ||
| Final hold (min) | 10. | 35. | 35. | 60. | 20. |
| I | 1645. | 1674. | 1674. | 1680. | 1632. |
| Reference | Verzera, Trozzi, et al., 2000 | Lota, Serra, et al., 1999 | Lota, Serra, et al., 1999 | Cha, Kim, et al., 1998 | Ollé, Baumes, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Carbowax 20M | DB-Wax | CP-Wax 52CB | HP-20M |
| Column length (m) | 25. | 60. | 60. | 50. | 50. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.425 | 0.25 | ||
| Tstart (C) | 50. | 45. | 50. | 50. | 60. |
| Tend (C) | 240. | 300. | 150. | 200. | 190. |
| Heat rate (K/min) | 4. | 3. | 2. | 1.5 | 3. |
| Initial hold (min) | 3. | 3. | 10. | 10. | |
| Final hold (min) | 20. | 20. | 40. | ||
| I | 1702. | 1666. | 1704. | 1679. | 1658. |
| Reference | Möllenbeck, König, et al., 1997 | Mondello, Dugo, et al., 1995 | Combariza, Tirado, et al., 1994 | Wu and Yang, 1994 | Chung, Eiserich, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-FFAP | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 50. | 50. | 40. | 40. |
| Tend (C) | 210. | 225. | 225. | 230. | 230. |
| Heat rate (K/min) | 3. | 1.5 | 1.5 | ||
| Initial hold (min) | |||||
| Final hold (min) | 80. | 80. | |||
| I | 1724. | 1666. | 1665. | 1671. | 1678. |
| Reference | Chung, Eiserich, et al., 1993 | Chen and Ho, 1988 | Chen and Ho, 1988 | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 60. | 60. | 60. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. |
| Tend (C) | 230. | 230. | 230. |
| Heat rate (K/min) | |||
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1679. | 1680. | 1687. |
| Reference | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R.,
Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection,
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Paolini J., Costa J., et al., 2007
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Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
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Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
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Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
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Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil,
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Fanciullino, Gancel, et al., 2005
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Smadja, Rondeau, et al., 2005
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Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
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Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L.,
Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
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Radonic and Milso, 2003
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Chemical Composition and In Vitro Evaluation of Antioxidant Effect of Free Volatile Compounds From Satureja montana L.,
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Skocibusic and Bezic, 2003
Skocibusic, M.; Bezic, N.,
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Verzera, Trozzi, et al., 2003
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Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
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Lota, de Rocca Serra, et al., 2002
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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