1-Octen-3-one
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChI: InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
- IUPAC Standard InChIKey: KLTVSWGXIAYTHO-UHFFFAOYSA-N
- CAS Registry Number: 4312-99-6
- 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:
- Other names: Vinyl amyl ketone; Pentyl vinyl ketone; Amyl vinyl ketone; 1-Octene-3-one; Oct-1-en-3-one; octen-3-one, 1
- Information on this page:
- Other data available:
- Options:
Kovats' 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 | DB-1 | DB-1 | DB-1 | SE-54 | OV-101 |
| Column length (m) | 50. | 60. | 60. | 30. | 25. |
| Carrier gas | N2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.31 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 95. | 30. | 30. | 0. | 60. |
| Tend (C) | 240. | 220. | 220. | 250. | 200. |
| Heat rate (K/min) | 4. | 2. | 2. | 12. | 2. |
| Initial hold (min) | 4. | 4. | 12. | ||
| Final hold (min) | |||||
| I | 962. | 953. | 961. | 975. | 966. |
| Reference | Velasco-Negueruela, Sanz, et al., 2004 | Takeoka, Perrino, et al., 1996 | Takeoka, Perrino, et al., 1996 | Rembold, Wallner, et al., 1989 | Morales and Duque, 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Velasco-Negueruela, Sanz, et al., 2004
Velasco-Negueruela, A.; Sanz, J.; Pérez-Alonso, M.J.; Palá-Paúl, J.,
The volatile components of the aerial parts of Melittis melissophyllum L. subsp. melissophyllum gathered in Spain,
Botanica Complutensis, 2004, 28, 133-136. [all data]
Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R.,
Volatile constituents of used frying oils,
J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m
. [all data]
Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018
. [all data]
Morales and Duque, 1987
Morales, A.L.; Duque, C.,
Aroma constituents of the fruit of the moutain papaya (Carica pubescens) from Colombia,
J. Agric. Food Chem., 1987, 35, 4, 538-540, https://doi.org/10.1021/jf00076a024
. [all data]
Notes
Go To: Top, Kovats' 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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