Nootkatone
- Formula: C15H22O
- Molecular weight: 218.3346
- IUPAC Standard InChI: InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m0/s1
- IUPAC Standard InChIKey: WTOYNNBCKUYIKC-SLEUVZQESA-N
- CAS Registry Number: 4674-50-4
- 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. - Other names: 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4α,4aα,6β)]-; (4R,4aS,6R)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one; 4βH,5α-Eremophila-1(10),11-dien-2-one; 4βH,5α-Eremorphila-1(10)11-dien-2-one; 4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone, [4R-(4α,4aα,6β)]-; 6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone-, [4R-(4α,4aα,6β)]-; (+)-5,6-dimethyl-8-isopropenylbicyclo[4.4.0]dec-1-en-3-one; 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-; (+)-Nootkatone; Nootkanone; Nootkatane; [4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
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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 |
|---|---|---|
| Active phase | DB-5 | SE-30 |
| Column length (m) | 30. | 25. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.26 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. |
| Tend (C) | 246. | 220. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1807. | 1765. |
| Reference | Adams, Morris, et al., 2005 | Kardali, Velasco-Negueruela, et al., 2000 |
| Comment | 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.
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Kardali, Velasco-Negueruela, et al., 2000
Kardali, M.; Velasco-Negueruela, A.; Pérez-Alonso, M.,
Essential Oil Constituents of Sideritis ibanyezii Pau,
Botanica Complutensis, 2000, 24, 101-106. [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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