3,5-Octadien-2-one
- 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
- IUPAC Standard InChIKey: LWRKMRFJEUFXIB-UHFFFAOYSA-N
- CAS Registry Number: 38284-27-4
- 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: 3,5-Octadiene-2-one; Octa-3,5-dien-2-one; 3,5-Octadienone
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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 | SPB-5 | MDN-5 | SPB-1 | HP-5 | OV-101 |
| Column length (m) | 60. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.00 | 0.25 | 0.25 | 0.52 | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 35. | 50. |
| Tend (C) | 230. | 280. | 200. | 250. | 250. |
| Heat rate (K/min) | 3. | 20. | 3. | 2. | 4. |
| Initial hold (min) | 5. | 1. | 10. | 15. | |
| Final hold (min) | 10. | 1. | 45. | ||
| I | 1074. | 1098. | 1043. | 1096. | 1056. |
| Reference | Sivadier, Ratel, et al., 2009 | Mildner-Szkudlarz, Jelen, et al., 2003 | Vichi, Castellote, et al., 2003 | Boylston and Viniyard, 1998 | Misharina, Golovnya, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-1 | OV-101 |
| Column length (m) | 50. | 50. | 50. | 50. | 50. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.31 |
| Phase thickness (μm) | |||||
| Tstart (C) | 0. | 50. | 0. | 50. | 0. |
| Tend (C) | 250. | 250. | 250. | 250. | 225. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | |||||
| I | 1040. | 1040. | 1065. | 1063. | 1048. |
| Reference | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.31 |
| Phase thickness (μm) | |
| Tstart (C) | 0. |
| Tend (C) | 225. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 1. |
| Final hold (min) | |
| I | 1072. |
| Reference | del Rosario, de Lumen, et al., 1984 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E.,
Latency and persistence of diet volatile biomarkers in lamb fats,
J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q
. [all data]
Mildner-Szkudlarz, Jelen, et al., 2003
Mildner-Szkudlarz, S.; Jelen, H.H.; Zawirska-Wojtasiak, R.; Wasowicz, E.,
Application of headspace - solid phase microextraction and multivariate analysis for plant oils differentiation,
Food Chem., 2003, 83, 4, 515-522, https://doi.org/10.1016/S0308-8146(03)00147-X
. [all data]
Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6
. [all data]
Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T.,
Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique
in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]
Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V.,
Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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