(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, non-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-5 | DB-5 | SE-54 | DB-5 | SE-54 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min) | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | 40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) | 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) |
| I | 984. | 980. | 984. | 982. | 984. |
| Reference | Buettner, 2007 | Greger and Schieberle, 2007 | Lasekan, Buettner, et al., 2007 | Tokitomo, Steihaus, et al., 2005 | Buettner, Mestres, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | RTX-5 | RTX-5 | RTX-5 | SE-54 |
| Column length (m) | 30. | 30. | 30. | ||
| Carrier gas | H2 | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.3 | 0.53 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 1.5 | 0.25 | ||
| Program | 35C (1min) => 40C/min => 60C (5min) => 4C/min => 240C | 35 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 230 0C | not specified | not specified | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C |
| I | 976. | 984. | 984. | 984. | 985. |
| Reference | Triqui and Bouchriti, 2003 | Masanetz and Grosch, 1998 | Masanetz, Guth, et al., 1998 | Masanetz, Guth, et al., 1998 | Reiners and Grosch, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | SE-54 | SE-54 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.20 | ||
| Program | 35C => 40C/min => 50C(2min) => 4C/min => 240C | 40 0C -> (unknowm rate) 50 0C (2 min) 6 0C/min -> 200 0C | 2 min at 35 0C; 35-50 0C at 40 deg/min; 5 min at 50 0C; 50 - 220 0C at 4 deg/min; |
| I | 984. | 985. | 984. |
| Reference | Schieberle and Grosch, 1994 | Milo and Grosch, 1993 | Schieberle, Ofner, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Buettner, 2007
Buettner, A.,
A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples,
Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822
. [all data]
Greger and Schieberle, 2007
Greger, V.; Schieberle, P.,
Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept,
J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015
. [all data]
Lasekan, Buettner, et al., 2007
Lasekan, O.; Buettner, A.; Christlbauer, M.,
Investigation of important odorants of palm wine (Elaeis guineensis),
Food Chem., 2007, 105, 1, 15-23, https://doi.org/10.1016/j.foodchem.2006.12.052
. [all data]
Tokitomo, Steihaus, et al., 2005
Tokitomo, Y.; Steihaus, M.; Buttner, A.; Schieberle, P.,
Odor-Active Constituents in Fresh Pineapple (ananas comosus [L.] Merr.) by Quamtitative and Sensory Evaluations,
Biosci. Biotechnol, Biochem,, 2005, 69, 7, 1323-1330, https://doi.org/10.1271/bbb.69.1323
. [all data]
Buettner, Mestres, et al., 2003
Buettner, A.; Mestres, M.; Fischer, A.; Guasch, J.; Schieberle, P.,
Evaluation of the most odour-active compounds in the peel oil of clementines ( citrus reticulata blanco cv. clementine),
Eur. Food Res. Technol., 2003, 216, 11-14. [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]
Masanetz and Grosch, 1998
Masanetz, C.; Grosch, W.,
Key odorants of parsley leaves (Petroselinum crispum [Mill.] Nym. ssp. crispum) by odour-activity values,
Flavour Fragr. J., 1998, 13, 2, 115-124, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<115::AID-FFJ706>3.0.CO;2-6
. [all data]
Masanetz, Guth, et al., 1998
Masanetz, C.; Guth, H.; Grosch, W.,
Fishy and hay-like off-flavours of dry spinach,
Z. Lebensm. Unters. Forsch. A, 1998, 206, 2, 108-113, https://doi.org/10.1007/s002170050224
. [all data]
Reiners and Grosch, 1998
Reiners, J.; Grosch, W.,
Odorants of virgin olive oils with different flavor profiles,
J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b
. [all data]
Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W.,
Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust,
Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177
. [all data]
Milo and Grosch, 1993
Milo, C.; Grosch, W.,
Changes in the odorants of boiled trout (Salmo fario) as affected by the storage of the raw material,
J. Agric. Food Chem., 1993, 41, 11, 2076-2081, https://doi.org/10.1021/jf00035a048
. [all data]
Schieberle, Ofner, et al., 1990
Schieberle, P.; Ofner, S.; Grosch, W.,
Evaluation of Potent Odorants in Cucumbers (Cucumis sativus) and Muskmelons (Cucumis melo) by Aroma Extract Dilution Analysis,
J. Food Sci., 1990, 55, 1, 193-195, https://doi.org/10.1111/j.1365-2621.1990.tb06050.x
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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