Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-

Formula: C₁₅H₂₂O
Molecular weight: 218.3346
IUPAC Standard InChI: InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m0/s1
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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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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; T_start: 60. C

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; T_start: 60. C
Capillary	HP-5	1752.	Oyedeji, Yani, et al., 2005	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 70. C; T_end: 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; T_start: 90. C; T_end: 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; T_start: 70. C; T_end: 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; T_start: 50. C; T_end: 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; T_start: 50. C; T_end: 290. C
Capillary	DB-5	1749.	Tellez, Estell, et al., 1997	30. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 240. C

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

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; T_start: 60. C

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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]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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