Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
- IUPAC Standard InChIKey: DCSCXTJOXBUFGB-SFYZADRCSA-N
- CAS Registry Number: 1196-01-6
- 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. - Stereoisomers:
- Other names: Levoverbenone; l-Verbenone; Verbenone, (L)-; 2-Pinen-4-one, (1S,5S)-(-)-; (-)-Verbenone; (S)-(-)-Verbenone; S-Verbenone; (-)-cis-Verbenone; 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1S,5S)-; NSC 6831; cis-Verbenone; trans-Verbenone; pin-2-en-4-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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1204. | Quijano, Salamanca, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 250. C @ 10. min |
| Capillary | HP-1 | 1191. | Tang, Zhang, et al., 1990 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 230. C @ 40. min; Tstart: 40. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax | 1723. | Noorizadeh and Farmany, 2010 | 60. m/0.25 mm/0.33 μm; Program: not specified |
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.
Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A.,
Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.),
Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812
. [all data]
Tang, Zhang, et al., 1990
Tang, J.; Zhang, Y.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T.,
Free and glycosidically bound volatile compounds in fresh celery (Apium graveolens L.),
J. Agric. Food Chem., 1990, 38, 10, 1937-1940, https://doi.org/10.1021/jf00100a013
. [all data]
Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A.,
Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils,
J. Chin. Chem. Soc., 2010, 1268-1277. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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