Benzene, 1-methoxy-4-methyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChIKey: CHLICZRVGGXEOD-UHFFFAOYSA-N
- CAS Registry Number: 104-93-8
- 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: Anisole, p-methyl-; p-Cresol methyl ether; p-Methoxytoluene; p-Methylanisole; p-Tolyl methyl ether; Methyl p-tolyl ether; 1-Methoxy-4-methylbenzene; 4-Methoxytoluene; 4-Methylanisole; p-Cresyl methyl ether; Methyl p-cresyl ether; Methyl 4-methylphenyl ether; 1-Methyl-4-methoxybenzene; 4-Methyl-1-methoxybenzene; 4-Methylphenol methyl ether; Methyl p-methylphenyl ether; 4-Methylmethoxybenzene; para-Methyl anisol; para-Methyl anisole; p-Methylanisol; NSC 6254; 4-Methylanisol
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Van Den Dool and Kratz 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 | CP Sil 5 CB | CP Sil 5 CB | DB-5 | BP-1 | DB-1 |
Column length (m) | 25. | 25. | 30. | 50. | 30. |
Carrier gas | H2 | He | H2 | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.4 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 80. | 80. | 35. | 60. | 50. |
Tend (C) | 270. | 270. | 270. | 220. | 200. |
Heat rate (K/min) | 10. | 10. | 5. | 2. | 5. |
Initial hold (min) | |||||
Final hold (min) | 20. | 20. | 0. | ||
I | 1004. | 1004. | 1024. | 1009. | 1015. |
Reference | Ziegenbein, Hanssen, et al., 2006 | Ziegenbein, Hanssen, et al., 2006, 2 | Alves, Pinto, et al., 2005 | Tam, Thuam, et al., 2004 | Boyom, Assembe, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5 | DB-5 | DB-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | 25. | 25. |
Carrier gas | H2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.2 | 0.2 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.11 | 0.11 |
Tstart (C) | 50. | 40. | 50. | 50. | 50. |
Tend (C) | 280. | 210. | 250. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 5. |
Initial hold (min) | 5. | ||||
Final hold (min) | |||||
I | 1019. | 1026. | 1018. | 1003. | 1003. |
Reference | Demetzos, Angelopoulou, et al., 2002 | Moio, Piombino, et al., 2000 | Isidorov, Zenkevich, et al., 1998 | Warthen, Lee, et al., 1997 | Warthen, Lee, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-1 | DB-1 |
Column length (m) | 60. | |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.25 | |
Phase thickness (μm) | 0.25 | |
Tstart (C) | 35. | 50. |
Tend (C) | 300. | 250. |
Heat rate (K/min) | 8. | 3.5 |
Initial hold (min) | 5. | |
Final hold (min) | ||
I | 999.2 | 1000. |
Reference | Gautzsch and Zinn, 1996 | Stashenko, Prada, et al., 1996 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [all data]
Ziegenbein, Hanssen, et al., 2006, 2
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Chemical constituents of the essential oils of three wood-rotting fungi,
Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732
. [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]
Tam, Thuam, et al., 2004
Tam, N.T.; Thuam, D.T.; Bighelli, A.; Castola, V.; Muselli, A.; Richomme, P.; Casanova, J.,
Baeckea frutescens leaf oil from Vietnam: composition and chemical variability,
Flavour Fragr. J., 2004, 19, 3, 217-220, https://doi.org/10.1002/ffj.1281
. [all data]
Boyom, Assembe, et al., 2003
Boyom, F.F.; Assembe, E.Z.; Zollo, P.H.A.; Agnaniet, H.; Menut, C.; Bessière, J.M.,
Aromatic plants of tropical central Africa. Part XLII. Volatile components from Antidesma laciniatum Muell. Arg. Var. laciniatum growing in Cameroon,
Flavour Fragr. J., 2003, 18, 5, 451-453, https://doi.org/10.1002/ffj.1251
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [all data]
Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106
. [all data]
Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E.,
Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system,
J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7
. [all data]
Warthen, Lee, et al., 1997
Warthen, J.D.; Lee, C.-J.; Jang, E.B.; Lance, D.R.; McInnis, D.O.,
Volatile, potential attractants from ripe coffee fruit for female Mediterranean fruit fly,
J. Chem. Ecol., 1997, 23, 7, 1891-1900, https://doi.org/10.1023/B:JOEC.0000006458.02342.61
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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