2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
- IUPAC Standard InChIKey: WPGPCDVQHXOMQP-SECBINFHSA-N
- CAS Registry Number: 499-71-8
- 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. - Stereoisomers:
- Other names: p-Menth-6-en-2-one, (S)-(+)-; (+)-Carvotanacetone; Carvotanacetone, (+)-; (S)-5-Isopropyl-2-methylcyclohex-2-enone; Carvotanacetone; Carvotanaceton
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- Other data available:
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Normal alkane RI, 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 | Carbowax 20M | Innowax FSC | HP-Innowax | Innowax FSC | HP-Innowax |
| Column length (m) | 25. | 60. | 60. | 60. | 60. |
| Carrier gas | H2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 40C(8min) => 3C/min => 180C => 20C/min => 230C (10min) | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
| I | 1652. | 1697. | 1697. | 1697. | 1697. |
| Reference | Lorenzo, Loayza, et al., 2006 | Baser, Demirci, et al., 2003 | Baser, Demirci, et al., 2002 | Tunalier, Kirimer, et al., 2002 | Gören, Demirci, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Lorenzo, Loayza, et al., 2006
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition and chiral characterization of the essential oil of Buddleja tucumanensis from Bolivia,
Flavour Fragr. J., 2006, 21, 1, 95-98, https://doi.org/10.1002/ffj.1526
. [all data]
Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E.,
Essential oils of some Boswellia spp., myrrh and opopanax,
Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166
. [all data]
Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G.,
The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey,
Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036
. [all data]
Tunalier, Kirimer, et al., 2002
Tunalier, Z.; Kirimer, N.; Baser, K.H.C.,
The composition of essential oils from various parts of Juniperus foetidissima,
Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 43-47, https://doi.org/10.1023/A:1015725630556
. [all data]
Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oils of Tanacetum spp. from Turkey,
Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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