Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-
- Formula: C15H22O
- Molecular weight: 218.3346
- IUPAC Standard InChIKey: FKWGCEDRLNNZOZ-LBPRGKRZSA-N
- CAS Registry Number: 30199-26-9
- 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: (R)-2-Methyl-5-(6-methylhept-5-en-2-yl)phenol; o-Cresol, 5-(1,5-dimethyl-4-hexenyl)-, (-)-; Xanthorrhizol; Phenol, 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methyl-; Phenol, 5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-; (-)-Xanthorrhizol; (-)-Xanthorrizol; (R)-(-)-Xanthorrhizol; (R)-(-)-Xanthorrizol; (R)-5-(1,5-dimethyl-4-hexenyl)-o-cresol
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 2010 |
NIST MS number | 384072 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1719. | Srivastava, Srivastava, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-1 | 1728. | Paolini, Tomi, et al., 2008 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Capillary | HP-5 | 1752. | Oyedeji, Yani, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 70. C; Tend: 240. C |
Capillary | DB-1 | 1730. | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 90. C; Tend: 240. C |
Capillary | Cross-Linked Methylsilicone | 1730. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 25. m/0.2 mm/0.33 μm, He, 4. K/min; Tstart: 70. C; Tend: 250. C |
Capillary | CP Sil 5 CB | 1717. | Bos, Woerdenbag, et al., 1997 | 25. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 290. C |
Capillary | CP Sil 5 CB | 1717. | Bos, Woerdenbag, et al., 1997 | 25. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 290. C |
Capillary | DB-5 | 1749. | Tellez, Estell, et al., 1997 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1754. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
Capillary | HP-5 | 1758. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) |
Capillary | HP-5 | 1753. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: not specified |
Capillary | HP-5 | 1753. | Custer, 2009 | 25. m/0.32 mm/0.17 μm, Helium; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 2674. | Paolini, Tomi, et al., 2008 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
. [all data]
Paolini, Tomi, et al., 2008
Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J.,
Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
N.Z. J. Agric. Res., 2008, 22, 14, 1270-1278. [all data]
Oyedeji, Yani, et al., 2005
Oyedeji, O.A.; Yani, V.V.; Afolayan, A.J.,
Chemical composition of the essential oil from Arctotis arctotoides (L.F.) O. Hoffm. (syn. Vendium arctotoides Less.),
Flavour Fragr. J., 2005, 20, 2, 232-234, https://doi.org/10.1002/ffj.1437
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Pimpinella anagodendron Bolle and Pimpinella rupicola Svent., two endemic species to the Canary Islands, Spain,
J. Chromatogr. A, 2005, 1095, 1-2, 180-184, https://doi.org/10.1016/j.chroma.2005.09.074
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oil from the aerial parts of Pimpinella junoniae Ceb. Ort., gathered in La Gomera, Canary Islands, Spain,
J. Chromatogr. A, 2003, 1011, 1-2, 241-244, https://doi.org/10.1016/S0021-9673(03)01082-3
. [all data]
Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C.,
Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC,
Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4
. [all data]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M.,
Essntial oil of Flourensia cernua DC,
J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799
. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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