2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-
- Formula: C10H16O2
- Molecular weight: 168.2328
- IUPAC Standard InChI: InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3
- IUPAC Standard InChIKey: QSIMLPCPCXVYDD-UHFFFAOYSA-N
- CAS Registry Number: 490-03-9
- 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. - Other names: Diosphenol; Barosma camphor; Buccocamphor; Buchu camphor; 2-Hydroxypiperitone; 2-Hydroxy-6-isopropyl-3-methylcyclohex-2-enone; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one; ψ-diosphenol; 2-hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one
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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 | 1304.9 | 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 | ZB-1 | 1273. | Mierendorff, Stahl-Biskup, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 3. K/min; Tstart: 45. C; Tend: 230. C |
| Capillary | HP-1 | 1277. | Antoniotti, Alezra, et al., 2004 | 50. m/0.2 mm/0.33 μm, 2. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | HP-1 | 1246. | Antoniotti, Alezra, et al., 2004 | 50. m/0.2 mm/0.33 μm, 2. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | ZB-1 | 1273. | Mierendorff, Stahl-Biskup, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 45. C; Tend: 230. C |
| Capillary | SPB-Sulfur | 1309. | Mariaca, Berger, et al., 1997 | 30. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax | 1784. | Ka, Choi, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min; Tend: 180. C |
| Capillary | HP-Innowax FSC | 1830. | Baser, Kirimer, et al., 1997 | He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1803. | Antoniotti, Alezra, et al., 2004 | Program: not specified |
| Capillary | HP-Innowax | 1831. | Viljoen, van Vuuren, et al., 2003 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, Gas Chromatography, Notes
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]
Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]
Antoniotti, Alezra, et al., 2004
Antoniotti, S.; Alezra, N.; Fernandez, X.; Duñach, E.,
Catalytic epoxide oxidation: a novel access to flavouring and odorant α-diketones,
Flavour Fragr. J., 2004, 19, 5, 373-381, https://doi.org/10.1002/ffj.1371
. [all data]
Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctulatus),
Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259
. [all data]
Mariaca, Berger, et al., 1997
Mariaca, R.G.; Berger, T.F.H.; Gauch, R.; Imhof, M.I.; Jeangros, B.; Bosset, J.O.,
Occurrence of volatile mono- and sesquiterpenoids in highland and lowland plant species as possible precursors for flavor compounds in milk and dairy products,
J. Agric. Food Chem., 1997, 45, 11, 4423-4434, https://doi.org/10.1021/jf970216t
. [all data]
Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G.,
Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves,
J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x
. [all data]
Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H.,
Composition of the essential oil of Micromeria dolichodontha P. H. Davis,
Flavour Fragr. J., 1997, 12, 4, 289-291, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<289::AID-FFJ640>3.0.CO;2-A
. [all data]
Viljoen, van Vuuren, et al., 2003
Viljoen, A.; van Vuuren, S.; Ernst, E.; Klepser, M.; Demirci, B.; Baser, H.; van Wyk, B.-E.,
Osmitopsis asteriscoides (Asteraceae)-the antimicrobial activity and essential oil composition of a Cape-Dutch remedy,
J. Ethnopharmacol., 2003, 88, 2-3, 137-143, https://doi.org/10.1016/S0378-8741(03)00191-0
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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