Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-
- Formula: C11H16O
- Molecular weight: 164.2441
- IUPAC Standard InChIKey: YVLHTQPPMZOCOW-UHFFFAOYSA-N
- CAS Registry Number: 6379-73-3
- 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. - Other names: p-Cymene-2-ol methyl ether; p-Cymene, 2-methoxy-; Anisole, 5-isopropyl-2-methyl-; Carvacrol methyl ether; Ether, carvacryl methyl; Methyl carvacrol; Methyl carvacryl ether; 2-Methoxy-4-(1-methylethyl)toluene; Carvacryl methyl oxide; Carvacryl methyl ether; methyl isothymol; Carvacrol Me ether; methyl-ether Carvacrol; Carvacrol methyl; 5-Isopropyl-2-methylanisole
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | DB-1 | DB-5 | HP-5 MS | HP-5 | SPB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Hydrogen | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.35 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 70. | 70. | 60. |
Tend (C) | 210. | 250. | 290. | 290. | 230. |
Heat rate (K/min) | 5. | 2. | 5. | 5. | 4. |
Initial hold (min) | |||||
Final hold (min) | 10. | 40. | |||
I | 1248. | 1245. | 1247. | 1248. | 1247. |
Reference | Fathi, Sahari, et al., 2011 | Ho, Wang, et al., 2010 | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Gauvin-Bialecki and Marodon, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | HP-5 | HP-5 MS | HP-5 | RTX-5 MS |
Column length (m) | 60. | 25. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 60. | 50. | 50. | 45. |
Tend (C) | 250. | 240. | 230. | 240. | 210. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 3. |
Initial hold (min) | 10. | 1. | |||
Final hold (min) | 7. | 10. | 4. | ||
I | 1238. | 1241. | 1241. | 1244. | 1248. |
Reference | Males, Plazibat, et al., 2009 | Maridass, 2009 | Adams, Beauchamp, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Hudaib and Aburjai, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | HP-5 | HP-5 | DB-5 |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | N2 | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 50. | 50. | 50. |
Tend (C) | 240. | 240. | 280. | 280. | 265. |
Heat rate (K/min) | 3. | 4. | 9. | 9. | 2.5 |
Initial hold (min) | 3. | 3. | 1. | ||
Final hold (min) | 3. | 3. | 20. | ||
I | 1247. | 1243. | 1244. | 1247. | 1239. |
Reference | Oliveira, Leitão, et al., 2007 | Sefidkon, Abbasi, et al., 2007 | Abdelwahed, Hayder, et al., 2006 | Abdelwahed, Hayder, et al., 2006 | Bazargani, Almasirad, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-1 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 60. | 60. | 50. |
Tend (C) | 300. | 240. | 240. | 240. | 250. |
Heat rate (K/min) | 5. | 5. | 5. | 5. | 3. |
Initial hold (min) | 5. | 2. | 2. | 2. | |
Final hold (min) | 5. | 10. | |||
I | 1239. | 1216. | 1244. | 1244. | 1241. |
Reference | Figuérédo, Cabassu, et al., 2006 | Gohari, Hadjiakhoondi, et al., 2006 | Gohari, Hadjiakhoondi, et al., 2006 | Gohari A.R., Hadjiakhoondi A., et al., 2006 | Havlik, Kokoska, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-5 | DB-1 | DB-1 | HP-5 | HP-5MS |
Column length (m) | 30. | 50. | 25. | 30. | 25. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 90. | 50. | 50. | 50. |
Tend (C) | 300. | 240. | 250. | 300. | 250. |
Heat rate (K/min) | 2. | 4. | 3. | 5. | 3. |
Initial hold (min) | 3. | 5. | 3. | ||
Final hold (min) | 5. | 10. | |||
I | 1246. | 1205. | 1254. | 1239. | 1246. |
Reference | Sari M., Biondi D.M., et al., 2006 | Velasco-Negueruela, Pérez-Alonso, et al., 2006 | Cégiéla-Carlioz, Bessière, et al., 2005 | Figuérédo, Cabassu, et al., 2005 | Ghasemi Y., Faridi P., et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | HP-5MS | DB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 60. | 60. | 60. | 90. |
Tend (C) | 240. | 230. | 280. | 280. | 240. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 4. |
Initial hold (min) | |||||
Final hold (min) | 20. | ||||
I | 1243. | 1245. | 1245. | 1225. | 1205. |
Reference | Sefidkon and Jamzad, 2005 | Skoula and Grayer, 2005 | Slavkovska, Couladis, et al., 2005 | Tzakou and Constantinidis, 2005 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | DB-5 | DB-5 | SE-30 |
Column length (m) | 50. | 60. | 30. | 30. | 12. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.3 |
Tstart (C) | 60. | 40. | 40. | 35. | 70. |
Tend (C) | 240. | 280. | 210. | 220. | 220. |
Heat rate (K/min) | 3. | 4. | 2. | 3. | 3. |
Initial hold (min) | 4. | 2. | |||
Final hold (min) | 33. | ||||
I | 1222. | 1243. | 1248. | 1243. | 1221. |
Reference | Velasco-Negueruela, Pérez-Alonso, et al., 2005, 2 | Kalvandi, Sefidkon, et al., 2004 | Lopez Arze, Collin, et al., 2004 | Palá-Paúl, Brophy, et al., 2004 | Kambouche and El-Abed, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | DB-1 | DB-1 | CP Sil 5 CB | HP-1 |
Column length (m) | 30. | 60. | 60. | 25. | 30. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.4 | 0.25 |
Tstart (C) | 60. | 40. | 40. | 60. | 70. |
Tend (C) | 240. | 220. | 220. | 260. | 220. |
Heat rate (K/min) | 3. | 4. | 4. | 5. | 3. |
Initial hold (min) | |||||
Final hold (min) | 40. | 15. | |||
I | 1245. | 1228. | 1228. | 1218. | 1223. |
Reference | Maia, Taveira, et al., 2003 | Rasooli and Mirmostafa, 2003 | Rasooli and Mirmostafa, 2003 | Azaz. D., Demirci, et al., 2002 | Cavaleiro, Salgueiro, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | SPB-5 | BP-1 |
Column length (m) | 50. | 50. | 50. | 60. | 25. |
Carrier gas | N2 | N2 | N2 | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.33 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.0 | |
Tstart (C) | 80. | 95. | 60. | 40. | 60. |
Tend (C) | 225. | 240. | 240. | 220. | 275. |
Heat rate (K/min) | 4. | 4. | 3. | 3. | 4. |
Initial hold (min) | 5. | ||||
Final hold (min) | 15. | ||||
I | 1217. | 1205. | 1222. | 1241. | 1244. |
Reference | Palá-Paúl, Pérez-Alonso, et al., 2002 | Velasco-Negueruela, Pérez-Alonso, et al., 2002 | Velasco-Negueruela, Pérez-Alonso, et al., 2002, 2 | Cornu, Carnat, et al., 2001 | Mohagheghzadeh, Shams-Ardakani, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | OV-101 | DB-1 | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 30. | 52. | 60. | 25. | 25. |
Carrier gas | He | Helium | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.26 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.13 | 0.25 | 0.25 | |
Tstart (C) | 60. | 50. | 60. | 50. | 50. |
Tend (C) | 275. | 220. | 230. | 290. | 290. |
Heat rate (K/min) | 4. | 3. | 3. | 4. | 4. |
Initial hold (min) | 0. | ||||
Final hold (min) | 0. | 5. | |||
I | 1244. | 1225. | 1223. | 1211. | 1211. |
Reference | Mohagheghzadeh, Shams-Ardakani, et al., 2000, 2 | Dzumayev, Tkachenko, et al., 1999 | Shafiee, Javidnia, et al., 1999 | Bos, Woerdenbag, et al., 1997 | Bos, Woerdenbag, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | DB-1 | OV-101 | OV-101 | OV-101 |
Column length (m) | 25. | 50. | 50. | 50. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.30 | 0.30 | 0.30 | |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 60. | 80. | 40. | 40. | 40. |
Tend (C) | 300. | 220. | 230. | 230. | 230. |
Heat rate (K/min) | 6. | 6. | 3.5 | 3.5 | 3.5 |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | |||||
I | 1211. | 1224. | 1226. | 1230. | 1248. |
Reference | Bos, Woerdenbag, et al., 1997, 2 | Salgueiro, Vila, et al., 1997 | Nykanen, 1986 | Nykanen, 1986 | Nykanen, 1986 |
Comment | MSDC-RI | 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.
Fathi, Sahari, et al., 2011
Fathi, A.; Sahari, M.A.; Zangiabadi, M.; Barzegar, M.,
Application od Satureja hortensis L. and Zataria multiflora Boiss. essential oils as two natural antioxidants in soybean oil during microwave heating,
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Ho, Wang, et al., 2010
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Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don,
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Radulovic, Blagojevic, et al., 2010
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Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
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Radulovic, Dordevic, et al., 2010
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Essential oil of Ayapana triplinervis from Reunion island: a good natural source of thymohydroquinone dimethyl ether,
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Males, Plazibat, et al., 2009
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Composition of the volatile oils of Satureja spicigera C. Koch Boiss. and S-macrantha C. A. Mey from Iran,
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Havlik, Kokoska, et al., 2006
Havlik, J.; Kokoska, L.; Vasickova, S.; Valterova, I.,
Chemical composition of essential oil from the seeds of Nigella arvensis L. and assessment of its actimicrobial activity,
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Analysis by gas chromatography?mass spectrometry of the volatiles from the fruits of Ammodaucus leucotrichus subsp. leucotrichus and subsp. nanocarpus grown in North Africa and the Canary Islands, respectively,
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Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel,
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Ghasemi Y., Faridi P., et al., 2005
Ghasemi Y.; Faridi P.; Mehregan I.; Mohagheghzadeh A.,
Ferula gummosa fruits: An aromatic antimicrobial agent,
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Sefidkon and Jamzad, 2005
Sefidkon, F.; Jamzad, Z.,
Chemical composition of the essential oil of three Iranian Satureja species (S. mutica, S. macrantha and S. intermedia),
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Skoula and Grayer, 2005
Skoula, M.; Grayer, R.J.,
Volatile oils of Coridothymus capitatus, Satureja thymbra, Satureja spinosa and Thymbra calostachya (Lamiaceae) from Crete,
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Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R.,
Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro,
Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y
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Tzakou and Constantinidis, 2005
Tzakou, O.; Constantinidis, T.,
Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus,
Biochem. Syst. Ecol., 2005, 33, 11, 1131-1140, https://doi.org/10.1016/j.bse.2005.03.008
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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
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Velasco-Negueruela, Pérez-Alonso, et al., 2005, 2
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G.,
The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain,
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. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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