(Z)-1,5-octadien-3-one
- Formula: C8H12O
- Molecular weight: 124.1803
- IUPAC Standard InChI: InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5-
- IUPAC Standard InChIKey: VWYBQOFZVSNDAW-WAYWQWQTSA-N
- CAS Registry Number: 65767-22-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 1,5-octadien-3-one, (Z); cis-1,5-octadien-3-one; (Z)-Octa-1,5-dien-3-one; 1,5-(Z)-Octadiene-3-one; 1,cis-5-octadien-3-one; 1,5(Z)-octadien-3-one; octadien-3-one, 1,5(Z); octa-1,cis-5-dien-3-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-FFAP | DB-Wax | Supelcowax-10 | DB-FFAP |
| Column length (m) | 60. | 30. | 15. | 60. | 30. |
| Carrier gas | Helium | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.53 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 0.25 |
| Tstart (C) | 50. | 40. | 40. | 40. | 35. |
| Tend (C) | 220. | 230. | 230. | 240. | 240. |
| Heat rate (K/min) | 3. | 6. | 6. | 4. | 8. |
| Initial hold (min) | 2. | 1. | 2. | 2.5 | |
| Final hold (min) | 70. | 20. | 20. | 2. | |
| I | 1369. | 1376. | 1373. | 1402. | 1372. |
| Reference | Shimizu, Imayoshi, et al., 2009 | Zeller and Rychlik, 2007 | Kishimoto, Wanikawa, et al., 2006 | Rochat and Chaintreau, 2005 | Triqui and Bouchriti, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | DB-Wax | DB-Wax | DB-Wax | HP-FFAP |
| Column length (m) | 50. | 30. | 60. | 30. | 50. |
| Carrier gas | H2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.5 |
| Tstart (C) | 45. | 40. | 40. | 40. | 35. |
| Tend (C) | 230. | 210. | 210. | 240. | 230. |
| Heat rate (K/min) | 3. | 5. | 5. | 7. | 6. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 10. | 5. | 15. | ||
| I | 1362. | 1375. | 1379. | 1383. | 1377. |
| Reference | Darriet, Pons, et al., 2002 | Kumazawa and Masuda, 2002 | Kumazawa and Masuda, 2002 | Lin, Rouseff, et al., 2002 | Preininger and Ullrich, 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 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 34. | 34. | 50. |
| Tend (C) | 210. | 210. | 200. | 200. | 240. |
| Heat rate (K/min) | 5. | 5. | 5. | 5. | 6. |
| Initial hold (min) | 3. | 3. | 3. | ||
| Final hold (min) | 10. | 10. | |||
| I | 1379. | 1379. | 1398. | 1352. | 1346. |
| Reference | Kumazawa and Masuda, 1999 | Kumazawa and Masuda, 1999 | Schlüter, Steinhart, et al., 1999 | Schlüter, Steinhart, et al., 1999 | Hashizume and Samuta, 1997 |
| 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.
Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K.,
Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
Flavour Fragr. J., 2009, 24, 5, 251-258, https://doi.org/10.1002/ffj.1938
. [all data]
Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M.,
Impact of estragole and other odorants on the flavour of anise and tarragon,
Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765
. [all data]
Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K.,
Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties,
J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c
. [all data]
Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l
. [all data]
Triqui and Bouchriti, 2003
Triqui, R.; Bouchriti, N.,
Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles,
J. Agric. Food Chem., 2003, 51, 26, 7540-7546, https://doi.org/10.1021/jf0348166
. [all data]
Darriet, Pons, et al., 2002
Darriet, P.; Pons, M.; Henry, R.; Dumont, O.; Findeling, V.; Cartolaro, P.; Calonnec, A.; Dubourdieu, D.,
Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae,
J. Agric. Food Chem., 2002, 50, 11, 3277-3282, https://doi.org/10.1021/jf011527d
. [all data]
Kumazawa and Masuda, 2002
Kumazawa, K.; Masuda, H.,
Identification of potent odorants in different green tea varieties using flavor dilution technique,
J. Agric. Food Chem., 2002, 50, 20, 5660-5663, https://doi.org/10.1021/jf020498j
. [all data]
Lin, Rouseff, et al., 2002
Lin, J.; Rouseff, R.L.; Barros, S.; Naim, M.,
Aroma composition changes in early season grapefruit juice produced from thermal concentration,
J. Agric. Food Chem., 2002, 50, 4, 813-819, https://doi.org/10.1021/jf011154g
. [all data]
Preininger and Ullrich, 2001
Preininger, M.; Ullrich, F.,
Trace compound analysis for off-flavor characterization of micromilled milk powder,
Am. Chem. Soc. Symp. Ser., 2001, 782, 46-61. [all data]
Kumazawa and Masuda, 1999
Kumazawa, K.; Masuda, H.,
Identification of potent odorants in Japanese green tea (Sen-cha),
J. Agric. Food Chem., 1999, 47, 12, 5169-5172, https://doi.org/10.1021/jf9906782
. [all data]
Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M.,
Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed,
J. Agric. Food Chem., 1999, 47, 12, 5146-5150, https://doi.org/10.1021/jf9902604
. [all data]
Hashizume and Samuta, 1997
Hashizume, K.; Samuta, T.,
Green odorants of grape cluster stem and their ability to cause a wine stemmy flavor,
J. Agric. Food Chem., 1997, 45, 4, 1333-1337, https://doi.org/10.1021/jf960635a
. [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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