β-Humulene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10+
- IUPAC Standard InChIKey: HAVYZKHVTLAPDZ-PPGMXFKZSA-N
- CAS Registry Number: 116-04-1
- 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: (1E,5E)-1,4,4-Trimethyl-8-methylenecycloundeca-1,5-diene; 1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene
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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 |
|---|---|---|---|---|
| Active phase | HP-Innowax | HP Innowax | HP-Innowax | Carbowax 20M |
| Column length (m) | 60. | 60. | 50. | |
| Carrier gas | Helium | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | |
| Phase thickness (μm) | 0.25 | 0.33 | 0.2 | |
| Program | not specified | not specified | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | not specified |
| I | 1654. | 1674. | 1689. | 1660. |
| Reference | Feng, Zhuang, et al., 2011 | Noorizadeh and Farmany, 2010 | Formisano, Mignola, et al., 2007 | Vinogradov, 2004 |
| Comment | 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.
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013
. [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]
Formisano, Mignola, et al., 2007
Formisano, C.; Mignola, E.; Rigano, D.; Senatore, F.; Bellone, G.; Bruno, M.; Rosselli, S.,
Chemical composition and antimicrobial activity of the essential oil from aerial parts of Micromeria fruticulosa (Bertol.) Grande (Lamiaceae) growing wild in Southern Italy,
Flavour Fragr. J., 2007, 22, 4, 289-292, https://doi.org/10.1002/ffj.1795
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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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