2-Furanmethanol, tetrahydro-α,α,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2α,5β(R*)]]-
- Formula: C15H26O2
- Molecular weight: 238.3657
- IUPAC Standard InChI: InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3/t12?,13-,15-/m0/s1
- IUPAC Standard InChIKey: RKBAYVATPNYHLW-MHEXWIEDSA-N
- CAS Registry Number: 26184-88-3
- 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: 2-((2S,5S)-5-Methyl-5-((S)-4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl)propan-2-ol; α-Bisabolol oxide B; Bisabolol oxide II; 2-Furanmethanol, tetrahydro-α,α,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-; 2-Furanmethanol, tetrahydro-α,α,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2α,5β(R)]]-; (-)-Bisabolol oxide B; (-)-α-Bisabolol oxide B; [2S-[2α,5β(R*)]]-tetrahydro-α,α,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol
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- Other data available:
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Normal alkane 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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | HP-5 | HP-5 MS | DB-5 | HP-5MS |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.52 | 0.25 | 0.25 | |
| Tstart (C) | 80. | 40. | 60. | 60. | 60. |
| Tend (C) | 250. | 280. | 280. | 300. | 280. |
| Heat rate (K/min) | 10. | 4. | 3. | 3. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 10. | ||||
| I | 1676. | 1652. | 1658. | 1646. | 1658. |
| Reference | Buono-Core, Nunez, et al., 2011 | Pavlovic, Petrovic, et al., 2007 | Vagionas, Graikou, et al., 2007 | Apel, Sobral, et al., 2006 | Petrakis, Roussis, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | DB-5 | BP-1 |
| Column length (m) | 30. | 30. | 50. | 25. |
| Carrier gas | Helium | He | He | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.50 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 50. | 60. |
| Tend (C) | 300. | 250. | 220. | 220. |
| Heat rate (K/min) | 4. | 2. | 3. | 5. |
| Initial hold (min) | 5. | 2. | ||
| Final hold (min) | 5. | 20. | 10. | |
| I | 1647. | 1654. | 1656. | 1644. |
| Reference | Utsunomia, Kawata, et al., 2005 | Senatore, Rigano, et al., 2004 | Masotti, Juteau, et al., 2003 | Das, Ram, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Buono-Core, Nunez, et al., 2011
Buono-Core, G.E.; Nunez, M.V.; Lucero, A.; Vargas, R.; Jullian, C.,
Structural elucidation of bioactive principles in floral extracts of German chamomille (Matricaria recituta L.),
J. Chil. Chem. Soc., 2011, 56, 1, 549-553, https://doi.org/10.4067/S0717-97072011000100006
. [all data]
Pavlovic, Petrovic, et al., 2007
Pavlovic, M.; Petrovic, S.; Ristic, M.; Maksimovic, Z.; Kovacevic, N.,
Essential oil of filipendula hexapetala,
Chem. Natural Compounds, 2007, 43, 2, 228-229, https://doi.org/10.1007/s10600-007-0088-z
. [all data]
Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I.,
Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania,
Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051
. [all data]
Apel, Sobral, et al., 2006
Apel, M.A.; Sobral, M.; Zuanazzi, J.A.S.; Henriques, A.T.,
Essential oil composition of four Plinia species (Myrtaceae),
Flavour Fragr. J., 2006, 21, 3, 565-567, https://doi.org/10.1002/ffj.1638
. [all data]
Petrakis, Roussis, et al., 2005
Petrakis, P.V.; Roussis, V.; Papadimitriou, D.; Vagias, C.; Tsitsimpikou, C.,
The effect of terpenoid extracts from 15 pine species on the feeding behavioural sequence of the late instars of the pine processionary caterpillar Thaumetopoea pityocampa,
Behav. Processes, 2005, 69, 3, 303-322, https://doi.org/10.1016/j.beproc.2004.12.008
. [all data]
Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M.,
Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc.,
J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609
. [all data]
Senatore, Rigano, et al., 2004
Senatore, F.; Rigano, D.; de Fusco, R.; Bruno, M.,
Composition of the essential oil from flowerheads of Chrysanthemum coronarium L. (Asteraceae) growing wild in Southern Italy,
Flavour Fragr. J., 2004, 19, 2, 149-152, https://doi.org/10.1002/ffj.1285
. [all data]
Masotti, Juteau, et al., 2003
Masotti, V.; Juteau, F.; Bessière, J.M.; Viano, J.,
Seasonal and phenological variations of the essential oil from the narrow endemic species Artemisia molinieri and its biological activities,
J. Agric. Food Chem., 2003, 51, 24, 7115-7121, https://doi.org/10.1021/jf034621y
. [all data]
Das, Ram, et al., 2002
Das, M.; Ram, G.; Singh, A.; Mallavarapu, G.R.; Ramesh, S.; Ram, M.; Kumar, S.,
Volatile constituents of different plant parts of Chamomilla recutita L. Rausch grown in the Indo-Gangetic plains,
Flavour Fragr. J., 2002, 17, 1, 9-12, https://doi.org/10.1002/ffj.1035
. [all data]
Notes
Go To: Top, Normal alkane 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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