Benzenemethanol, 4-methoxy-

Formula: C₈H₁₀O₂
Molecular weight: 138.1638
IUPAC Standard InChI: InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
IUPAC Standard InChIKey: MSHFRERJPWKJFX-UHFFFAOYSA-N
CAS Registry Number: 105-13-5
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: Benzyl alcohol, p-methoxy-; p-Anisyl alcohol; p-Methoxybenzyl alcohol; Anise alcohol; Anisic alcohol; 4-Methoxybenzyl alcohol; Anisyl alcohol; p-Anisol alcohol; 4-Methoxybenzenemethanol; Anis alcohol; 4-Anisylalcohol; 4-(Hydroxymethyl)anisole; NSC 2151
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- Phase change data
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	SE-30	100.	1246.8	Tudor, 1997	40. m/0.35 mm/0.35 μm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1273.	Saroglou, Dorizas, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C
Capillary	DB-5	1279.	Alves, Pinto, et al., 2005	30. m/0.25 mm/0.25 μm, H2, 5. K/min, 270. C @ 20. min; T_start: 35. C
Capillary	DB-5	1278.	Nogueira, Bittrich, et al., 2001	30. m/0.25 mm/0.25 μm, H2, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	HP-5	1295.	David, Scanlan, et al., 2000	50. m/0.32 mm/1.05 μm, He, 2. K/min; T_start: 50. C; T_end: 290. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1277.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
Capillary	DB-5	1279.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
Capillary	DB-5	1279.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
Capillary	DB-5	1279.	Boulanger, Chassagne, et al., 1999	30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-FFAP	2290.	Zeller and Rychlik, 2006	30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 6. K/min; T_end: 230. C
Capillary	DB-Wax	2268.	Wirth, Guo, et al., 2001	30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1282.	Pripdeevech and Saansoomchai, 2013	30. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 230. C
Capillary	HP-1	1270.	Nyegue, Ndoye, et al., 2009	30. m/0.25 mm/0.25 μm, Helium, 10. K/min; T_start: 70. C; T_end: 220. C
Capillary	BPX-5	1308.	Bieri and Marriott, 2008	30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; T_start: 100. C; T_end: 999. C
Capillary	BPX-5	1303.	Bieri and Marriott, 2008	30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; T_start: 60. C; T_end: 999. C
Capillary	BPX-5	1304.	Bieri and Marriott, 2008	30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; T_start: 60. C; T_end: 999. C
Capillary	BPX-5	1304.	Bieri and Marriott, 2008	30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; T_start: 60. C; T_end: 999. C
Capillary	BPX-5	1312.	Bieri and Marriott, 2008	30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; T_start: 60. C; T_end: 999. C
Capillary	BPX-5	1307.	Bieri and Marriott, 2008	30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; T_start: 60. C; T_end: 999. C
Capillary	Equity-5 MS	1284.	Mondello, Casilli, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 1.5 K/min; T_start: 40. C; T_end: 260. C
Capillary	HP-5MS	1290.	Shams-Ardakani, Ghannadi, et al., 2005	30. m/0.25 mm/0.25 μm, He, 15. K/min; T_start: 60. C; T_end: 275. C
Capillary	DB-1	1242.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	1242.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	1244.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	1244.	Park, Lee, et al., 2004	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	OV-101	1249.	Agnaniet, Mounzeo, et al., 2003	25. m/0.25 mm/0.25 μm, N2, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	DB-5MS	1293.	Cherchi, Deidda, et al., 2001	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1290.	Alissandrakis, Kibaris, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)
Capillary	SE-30	1267.	Vinogradov, 2004	Program: not specified
Capillary	HP-5	1295.0	David, Scanlan, et al., 2002	50. m/0.32 mm/1.05 μm, He; Program: not specified
Capillary	DB-5	1275.	Rapior, Breheret, et al., 2002	30. m/0.20 mm/1.0 μm; Program: not specified
Capillary	OV-101	1267.	Shibamoto, 1987	Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	TC-Wax	2305.	Shuichi, Masazumi, et al., 1996	80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 240. C
Capillary	TC-Wax	2302.	Shuichi, Masazumi, et al., 1996	80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 240. C

References

Go To: Top, Gas Chromatography, Notes

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M., Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor, J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027 . [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

David, Scanlan, et al., 2000
David, F.; Scanlan, F.; Sandra, P., Retention time locking in flavor analysis, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]

Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C . [all data]

Zeller and Rychlik, 2006
Zeller, A.; Rychlik, M., Character impact odorants of fennel fruits and fennel tea, J. Agric. Food Chem., 2006, 54, 10, 3686-3692, https://doi.org/10.1021/jf052944j . [all data]

Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z., Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars, J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l . [all data]

Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J., Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers, Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]

Nyegue, Ndoye, et al., 2009
Nyegue, M.; Ndoye, F.; Zollo, P.-H.A.; Etoa, F.-X.; Agnaniet, H.; Menut, C., Chemical and biological evaluation of essential oil of Pentadiplandra brazzeana (Nail.) roots from Cameroon, Adv. Phytoterapy Res., 2009, 91-107. [all data]

Bieri and Marriott, 2008
Bieri, S.; Marriott, P.J., Dual-injection system with multiply injections for determining sidimentional retention indexes in comprehensive two-dimensional gas chromatography, Anal. Chem., 2008, 80, 3, 760-768, https://doi.org/10.1021/ac071367q . [all data]

Mondello, Casilli, et al., 2008
Mondello, L.; Casilli, A.; Tranchida, Q.; Sciarrone, D.; Dugo, P.; Dugo, G., Analysis of allergens in fragrances using multiple heart-cut multidimentional gas chromatography - mass spectrometry, LC-GC Europe, 2008, 21, 130. [all data]

Shams-Ardakani, Ghannadi, et al., 2005
Shams-Ardakani, M.; Ghannadi, A.; Badr, P.; Mohagheghzadeh, A., Biotransformation of terpenes and related compounds by suspension culture of Glycyrrhiza glabra L. (Papilionaceae), Flavour Fragr. J., 2005, 20, 2, 141-144, https://doi.org/10.1002/ffj.1401 . [all data]

Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R., Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC), Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345 . [all data]

Agnaniet, Mounzeo, et al., 2003
Agnaniet, H.; Mounzeo, H.; Menut, C.; Bessiere, J.-M.; Criton, M., The essential oils of Rinorea subintegrifolia O. Ktze and Drypetes gossweileri S. Moore occurring in Gabon, Flavour Fragr. J., 2003, 18, 3, 207-210, https://doi.org/10.1002/ffj.1185 . [all data]

Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S., Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity, Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y . [all data]

Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

David, Scanlan, et al., 2002
David, F.; Scanlan, F.; Sandra, P.; Szelewski, M., Analysis of essential oil compounds using retention time locked methods and retention time databases, 2002, retrieved from http://www.chem.agilent.com. [all data]

Rapior, Breheret, et al., 2002
Rapior, S.; Breheret, S.; Talou T.; Pelissier, Y.; Bessiere, J.-M., The anise-like odor of Clitocybe odora, Lentinellus cochleatus and Agaricus essettei, Mycologia, 2002, 94, 3, 373-376, https://doi.org/10.2307/3761770 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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