3,5-Octadien-2-one, (E,E)-
- Formula: C8H12O
- Molecular weight: 124.1803
- IUPAC Standard InChI: InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
- IUPAC Standard InChIKey: LWRKMRFJEUFXIB-YTXTXJHMSA-N
- CAS Registry Number: 30086-02-3
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: (3E,5E)-3,5-Octadien-2-one; 3,5-(E,E)-Octadien-2-one; (E)-3,(E)-5-Octadien-2-one; (E,E)-3,5-Octadien-2-one; (E,E)-Octa-3,5-dien-2-one; Octa-3(E),5(E)-dien-2-one; trans-3,trans-5-Octadien-2-one; trans,trans-3,5-Octadien-2-one; 3,5-Octadien-2-one #1; (E,E) 3,5-Octadiene-2-one
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 200. | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 8. | 8. | 8. | 8. | 8. |
| Initial hold (min) | 3. | 3. | 3. | 3. | 3. |
| Final hold (min) | 9.5 | 9.5 | 9.5 | 9.5 | 9.5 |
| I | 1585. | 1590. | 1608. | 1609. | 1610. |
| Reference | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-Wax | DB-Wax | TC-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 60. | 60. | 60. | 60. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | ||||
| Tstart (C) | 40. | 30. | 80. | 60. | 60. |
| Tend (C) | 250. | 170. | 240. | 180. | 180. |
| Heat rate (K/min) | 3. | 2. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 4. | 5. | 4. | 4. |
| Final hold (min) | 10. | 30. | |||
| I | 1595. | 1566. | 1575. | 1539. | 1539. |
| Reference | Wierda R.L., Fletcher G., et al., 2006 | Buttery and Ling, 1998 | Shuichi, Masazumi, et al., 1996 | Kawakami, Ganguly, et al., 1995 | Kawakami, Kobayashi, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Supelcowax-10 | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 60. | 150. | 150. | 150. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.64 | 0.64 | 0.64 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 60. | 40. | 50. | 50. | 50. |
| Tend (C) | 180. | 175. | 170. | 170. | 170. |
| Heat rate (K/min) | 2. | 1. | 1. | 1. | 1. |
| Initial hold (min) | 4. | 5. | 30. | 30. | 30. |
| Final hold (min) | |||||
| I | 1539. | 1570. | 1550. | 1550. | 1550. |
| Reference | Kawakami and Kobayashi, 1991 | Hsieh, Williams, et al., 1989 | Buttery, Parker, et al., 1981 | Buttery and Kamm, 1980 | Buttery, Ling, et al., 1980 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Rochat, Egger, et al., 2009
Rochat, S.; Egger, J.; Chaintreau, A.,
Strategy for the identification of key odorants: application to shrimp aroma,
J. Chromatogr. A, 2009, 1216, 36, 6424-6432, https://doi.org/10.1016/j.chroma.2009.07.014
. [all data]
Wierda R.L., Fletcher G., et al., 2006
Wierda R.L.; Fletcher G.; Xu L.; Dufour J.P.,
Analysis of volatile compounds as spoilage indicators in fresh king salmon (Oncorhynchus tshawytscha) during storage using SPME-GC-MS,
J. Agric. Food Chem., 2006, 54, 22, 8480-8490, https://doi.org/10.1021/jf061377c
. [all data]
Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C.,
Additional studies on flavor components of corn tortilla chips,
J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037
. [all data]
Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K.,
Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process,
J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Hsieh, Williams, et al., 1989
Hsieh, T.C.Y.; Williams, S.S.; Vejaphan, W.; Meyers, S.P.,
Characterization of Volatile Components of Menhaden Fish (Brevoortia tyrannus) Oil,
J. Amer. Oil Chem. Soc., 1989, 66, 1, 114-117, https://doi.org/10.1007/BF02661797
. [all data]
Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C.,
Volatile components of alfalfa leaf-cutter bee cells,
J. Agric. Food Chem., 1981, 29, 5, 955-958, https://doi.org/10.1021/jf00107a017
. [all data]
Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A.,
Volatile components of alfalfa: possible insect host plant attractants,
J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014
. [all data]
Buttery, Ling, et al., 1980
Buttery, R.G.; Ling, L.C.; Teranishi, R.,
Volatile of corn tassels: possible corn ear worm attractants,
J. Agric. Food Chem., 1980, 28, 4, 771-774, https://doi.org/10.1021/jf60230a020
. [all data]
Notes
Go To: Top, Normal alkane 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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