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, custom temperature program
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-FFAP | DB-FFAP | DB-Wax | HP Innowax FSP | Innowax FSC |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | N2 | He |
| 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 |
| Program | 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C | not specified | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1549. | 1563. | 1570. | 1573. | 1573. |
| Reference | Mebazaa, Mahmoudi, et al., 2009 | Mebazaa, Mahmoudi, et al., 2009 | Rochat, Egger, et al., 2009 | Altintas, Kose, et al., 2004 | Baser, Özek, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | DB-Wax | Innowax FSC | Supelcowax 10 | Supelcowax 10 |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | Helium | He | 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 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified |
| I | 1573. | 1569. | 1573. | 1565. | 1563. |
| Reference | Baser, Özek, et al., 2004 | Kim. J.H., Ahn, et al., 2004 | Saglam, Gozler, et al., 2001 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Supelcowax 10 |
| Column length (m) | 60. |
| Carrier gas | Helium |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | not specified |
| I | 1578. |
| Reference | Castioni and Kapetanidis, 1996 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V.,
Characterization of volatile compounds in Tunisian fenugreek seeds,
Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066
. [all data]
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]
Altintas, Kose, et al., 2004
Altintas, A.; Kose, Y.B.; Yucel, E.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oil of Centaurea dichroa,
Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 6, 604-605, https://doi.org/10.1007/s10600-005-0051-9
. [all data]
Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey,
J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728
. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C.,
Volatile compounds from Haplophyllum myrtifolium,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815
. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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