3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
- Formula: C13H22O
- Molecular weight: 194.3132
- IUPAC Standard InChI: InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+
- IUPAC Standard InChIKey: PWDOJWCZWKWKSE-BQYQJAHWSA-N
- CAS Registry Number: 25312-34-9
- 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: α-Ionol; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-trans-3-buten-2-ol; alpha-lonol; 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol, (3E)-; (E)-α-Ionol; 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol (α-ionol); 4-(2,6,6-Trimethyl)-2-cyclohexen-1-yl-3-buten-2-ol
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- Other data available:
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Normal alkane RI, non-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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | Siloxane, 5 % Ph | Polydimethyl siloxane, 5 % phenyl |
| Column length (m) | ||||
| Carrier gas | ||||
| Substrate | ||||
| Column diameter (mm) | ||||
| Phase thickness (μm) | ||||
| Program | not specified | not specified | not specified | not specified |
| I | 1376. | 1387. | 1392. | 1392. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | VOC BinBase, 2012 | Skogerson, Wohlgemuth, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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