α-Kessyl acetate
- Formula: C17H28O3
- Molecular weight: 280.4024
- IUPAC Standard InChI: InChI=1S/C17H28O3/c1-10-8-14(19-11(2)18)15-13(10)9-12-6-7-17(15,5)20-16(12,3)4/h10,12-15H,6-9H2,1-5H3
- IUPAC Standard InChIKey: SXGDMINSYARVTP-UHFFFAOYSA-N
- CAS Registry Number: 3925-77-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,4-Ethano-1H-cyclopent[c]oxepin-8-ol, octahydro-1,3,3,6-tetramethyl-, 8-acetate, (1S,4R,5aR,6R,8R,8aS)-; 1,4-Ethano-1H-cyclopent[c]oxepin-8-ol, octahydro-1,3,3,6-tetramethyl-, acetate, (1S,4R,5aR,6R,8R,8aS)-; 1,4-Ethano-1H-cyclopent[c]oxepin-8-ol, octahydro-1,3,3,6-tetramethyl-, acetate, [1S-(1α,4α,5aβ,6α,8β,8aα)]-; 4βH,5β,10βH-Guaian-2β-ol, 10,11-epoxy-, acetate; α-Kessyl alcohol, acetate; Kessyl acetate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1820.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1806. | Raal, Orav, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 2387. | Raal, Orav, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia,
Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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