trans-β-Ionone
- Formula: C13H20O
- Molecular weight: 192.2973
- IUPAC Standard InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
- IUPAC Standard InChIKey: PSQYTAPXSHCGMF-BQYQJAHWSA-N
- CAS Registry Number: 79-77-6
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; (E)-β-Ionone; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; β-E-Ionone; [E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; β-Ionone; β-lonone; β-Ionone isomer # 1; (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)-3-buten-2-one; (3E)-4-(2,6,6-trimethylcyclohex-1-enyl)-3-buten-2-one (dihydro-β-ionone)
- Information on this page:
- Other data available:
- Options:
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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 | HP-Innowax | RTX-Wax | DB-Wax | DB-Wax | DB-FFAP |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 50. | 40. |
| Tend (C) | 280. | 230. | 240. | 220. | 230. |
| Heat rate (K/min) | 3. | 2. | 7. | 4. | 6. |
| Initial hold (min) | 4. | 1. | |||
| Final hold (min) | 35. | 5. | 20. | ||
| I | 1954. | 1923. | 1958. | 1923. | 1947. |
| Reference | Kundakovic, Fokialakis, et al., 2007 | Paolini, Muselli, et al., 2007 | Ruiz Perez-Cacho, Mahattanatawee, et al., 2007 | Osorio, Alarcon, et al., 2006 | Zeller and Rychlik, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | RTX-Wax | Supelcowax-10 | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 30. | 30. | 0. |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 40. | 60. | 60. | 40. | 40. |
| Tend (C) | 240. | 230. | 240. | 250. | 240. |
| Heat rate (K/min) | 7. | 2. | 3. | 3. | 7. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | 5. | 35. | 10. | 20. | 5. |
| I | 1951. | 1923. | 1931. | 1937. | 1960. |
| Reference | Mahattanatawee, Rouseff, et al., 2005 | Paolini, Costa, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Aubert and Bourger, 2004 | Gocmen, Gurbuz, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | HP-Wax | DB-Wax | HP-20M | CP-Wax 52CB |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.2 | 0.2 |
| Tstart (C) | 40. | 60. | 40. | 70. | 32. |
| Tend (C) | 240. | 220. | 240. | 180. | 220. |
| Heat rate (K/min) | 6. | 5. | 7. | 4. | 1. |
| Initial hold (min) | 10. | 10. | 4. | 1. | |
| Final hold (min) | 25. | 5. | 10. | ||
| I | 1936. | 1952. | 1955. | 1890. | 1909. |
| Reference | Varming, Petersen, et al., 2004 | Campeol, Flamini, et al., 2003 | Högnadóttir and Rouseff, 2003 | Jerkovic, Mastelic, et al., 2003 | Kjeldsen, Christensen, et al., 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 | AT-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 30. | 30. |
| Carrier gas | N2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 40. | 40. | 65. | 35. | 35. |
| Tend (C) | 210. | 240. | 250. | 240. | 200. |
| Heat rate (K/min) | 2. | 6. | 2. | 5. | 10. |
| Initial hold (min) | 10. | 10. | 5. | 5. | |
| Final hold (min) | 40. | 30. | 60. | 5. | 30. |
| I | 1926. | 1910. | 1912. | 1940. | 1954. |
| Reference | Mau, Ko, et al., 2003 | Nielsen, Larsen, et al., 2003 | Pino, Almora, et al., 2003 | Rega, Fournier, et al., 2003 | Karagül-Yüceer, Cadwallader, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-FFAP | HP-Innowax | HP-Innowax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.50 | 0.25 | 0.50 |
| Tstart (C) | 35. | 60. | 60. | 35. | 40. |
| Tend (C) | 200. | 260. | 260. | 200. | 240. |
| Heat rate (K/min) | 10. | 3. | 3. | 10. | 7. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 30. | 10. | 30. | 5. | |
| I | 1926. | 1938. | 1938. | 1945. | 1967. |
| Reference | Karagül-Yüceer, Cadwallader, et al., 2002 | Couladis, Baziou, et al., 2001 | Couladis, Tzakou, et al., 2001 | Karagül-Yüceer, Drake, et al., 2001 | Lin and Rouseff, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | AT-Wax | DB-Wax | Supelcowax-10 | Supelcowax-10 | DB-Wax |
| Column length (m) | 60. | 60. | 30. | 60. | 60. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 65. | 70. | 75. | 35. | 40. |
| Tend (C) | 250. | 230. | 200. | 195. | 200. |
| Heat rate (K/min) | 2. | 2. | 2.5 | 2. | 3. |
| Initial hold (min) | 10. | 2. | 5. | 5. | |
| Final hold (min) | 60. | 20. | 90. | 60. | |
| I | 1892. | 1953. | 1953. | 1944. | 1943. |
| Reference | Pino and Marbot, 2001 | Choi and Sawamura, 2000 | Lazari, Skaltsa, et al., 2000 | Chung, 1999 | Cha, Kim, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 50. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| 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 | |
| Tstart (C) | 60. | 30. | 50. | 50. | 40. |
| Tend (C) | 230. | 170. | 230. | 230. | 200. |
| Heat rate (K/min) | 5. | 4. | 2. | 2. | 3. |
| Initial hold (min) | 5. | 2. | 5. | ||
| Final hold (min) | 20. | 20. | 60. | ||
| I | 1954. | 1926. | 1942. | 1938. | 1956. |
| Reference | Granicher, Christen, et al., 1995 | Píry, Príbela, et al., 1995 | Shimoda, Shigematsu, et al., 1995 | Shiratsuchi, Shimoda, et al., 1994 | Sumitani, Suekane, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-20M | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 40. | 50. | 50. | 50. |
| Tend (C) | 190. | 220. | 240. | 240. | 250. |
| Heat rate (K/min) | 3. | 5. | 2. | 2. | 4. |
| Initial hold (min) | 3. | 3. | |||
| Final hold (min) | |||||
| I | 1912. | 1931. | 1932.2 | 1932.3 | 1931. |
| Reference | Chung, Eiserich, et al., 1993 | Frohlich and Schreier, 1990 | Chang, Sheng, et al., 1989 | Chang, Sheng, et al., 1989 | Fröhlich, Duque, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | Supelcowax-10 | Carbowax 20M | Carbowax 20M |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 40. | 40. | 40. |
| Tend (C) | 250. | 175. | 175. | 230. | 230. |
| Heat rate (K/min) | 4. | 2. | 2. | ||
| Initial hold (min) | 3. | 5. | 5. | ||
| Final hold (min) | 20. | 20. | |||
| I | 1938. | 1948. | 1948. | 1929. | 1936. |
| Reference | Fröhlich, Duque, et al., 1989 | Tanchotikul and Hsieh, 1989 | Tanchotikul and Hsieh, 1989 | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | PEG-20M | PEG-20M |
| Column length (m) | 60. | 60. | 60. | 25. | 25. |
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.26 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.3 | 0.3 |
| Tstart (C) | 40. | 40. | 40. | 100. | 60. |
| Tend (C) | 230. | 230. | 230. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | |||
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1937. | 1938. | 1954. | 1928.0 | 1923.2 |
| Reference | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 | Peppard and Ramus, 1988 | Wang and Sun, 1987 | Wang and Sun, 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | PEG-20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 25. | 50. | |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.26 | 0.32 | |
| Phase thickness (μm) | 0.3 | ||
| Tstart (C) | 60. | 50. | 50. |
| Tend (C) | 200. | 200. | 160. |
| Heat rate (K/min) | 8. | 2. | 1. |
| Initial hold (min) | 5. | 10. | |
| Final hold (min) | 40. | ||
| I | 1948.9 | 1911. | 1910. |
| Reference | Wang and Sun, 1987 | Chen, Kuo, et al., 1986 | Chen, Kuo, et al., 1982 |
| 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.
Kundakovic, Fokialakis, et al., 2007
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Essential oil composition of Achillea lingulata and A. umbellata,
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Paolini, Muselli, et al., 2007
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Thymol derivatives from essential oil of Doronicum corsicum L.,
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Ruiz Perez-Cacho, Mahattanatawee, et al., 2007
Ruiz Perez-Cacho, P.; Mahattanatawee, K.; Smoot, J.M.; Rouseff, R.,
Identification of Sulfur Volatiles in Canned Orange Juices Lacking Orange Flavor,
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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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Choi and Sawamura, 2000
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Notes
Go To: Top, Van Den Dool and Kratz RI, 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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