Phenol, 2,6-dimethoxy-
- Formula: C8H10O3
- Molecular weight: 154.1632
- IUPAC Standard InChIKey: KLIDCXVFHGNTTM-UHFFFAOYSA-N
- CAS Registry Number: 91-10-1
- 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: Pyrogallol 1,3-dimethyl ether; Syringol; 1,3-Dimethoxy-2-hydroxybenzene; 2-Hydroxy-1,3-dimethoxybenzene; 2,6-Dimethoxyphenol; 2,6-Dimethoxyphenyl; 1,3-Dimethyl pyrogallate; 2,6-Dwumetoksyfenol; Pyrogallol dimethylether; 2,6-dimethoxyphenol (syringol); Dimethoxyphenol
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -123.9 | kcal/mol | Ccb | Lindberg, Jauhiainen, et al., 1972 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -969.6 | kcal/mol | Ccb | Lindberg, Jauhiainen, et al., 1972 | Corresponding ΔfHºsolid = -124.4 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLID (MULL); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-6115 |
NIST MS number | 231854 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1347. | Grzybowski, Lamparczyk, et al., 1980 | Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1367. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
Capillary | HP-5MS | 1357. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
Capillary | CP Sil 8 CB | 1349. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | DB-5 | 1357. | da Silva, Borba, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 50. C; Tend: 290. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1361.6 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | DB-5MS | 1365. | Varlet, Serot, et al., 2007 | 30. m/0.32 mm/0.5 μm, He; Program: 70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min) |
Capillary | DB-5MS | 1365. | Varlet V., Knockaert C., et al., 2006 | 30. m/0.32 mm/0.5 μm, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) |
Capillary | LM-5 | 1355.2 | Ré-Poppi and Santiago-Silva, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) |
Capillary | LM-5 | 1356.5 | Ré-Poppi and Santiago-Silva, 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C(5min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2269. | Botelho, Caldeira, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 3.5 K/min, 180. C @ 25. min |
Capillary | Innowax | 2296. | Botelho, Caldeira, et al., 2007 | 30. m/0.25 mm/0.25 μm, H2, 45. C @ 5. min, 3.5 K/min, 210. C @ 20. min |
Capillary | DB-FFAP | 2273. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
Capillary | DB-FFAP | 2276. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
Capillary | Innowax | 2273. | Lee, Lee, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 230. C @ 20. min |
Capillary | CP-Wax 52CB | 2264. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 2266. | Chevance and Farmer, 1999, 2 | 40. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 2264. | Chevance and Farmer, 1999, 2 | 40. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 2269. | Shiratsuchi, Shimoda, et al., 1993 | 60. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min |
Capillary | DB-Wax | 2269. | Shiratsuchi, Shimoda, et al., 1993 | 60. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Stabilwax | 2273. | Natali N., Chinnici F., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 240C(10min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 1357. | Souza, Re-Poppi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 6. K/min, 280. C @ 3. min |
Capillary | ZB-5 | 1358. | Harrison and Priest, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min |
Capillary | DB-1 | 1309. | 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 | 1304. | Kjällstrand, Ramnäs, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1319. | Attia, Grissa, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (5 min) 6 0C -> 120 0C (5 min) 8 0C/min -> 300 0C |
Capillary | SLB-5 MS | 1347. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 1353. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1361. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1362. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | VF-5 MS | 1356. | Souza, Re-Poppi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | ZB-5 | 1353. | de Simon, Estruelas, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) |
Capillary | HP-5 | 1352. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
Capillary | HP-5 | 1355. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | MFE-73 | 1345. | Escudero, Gogorza, et al., 2004 | Program: not specified |
Capillary | MFE-73 | 1345. | Ferreira, Ortín, et al., 2002 | H2; Program: not specified |
Capillary | HP-5MS | 1359. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | MFE-73 | 1345. | Aznar, López, et al., 2001 | 30. m/0.32 mm/0.1 μm, H2; Program: 40C(5min) => 2C/min => 120C => 10C/min => 210C(30min) |
Capillary | MFE-73 | 1345. | Ferreira, Aznar, et al., 2001 | 30. m/0.32 mm/0.1 μm, H2; Program: 40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min) |
Capillary | HP-5 | 1355. | Ansorena, Astiasarán, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | SE-30 | 1347. | Peterson, 1992 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2271. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min |
Capillary | DB-Wax | 2295. | Caldeira, de Sousa, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 10. min, 3.5 K/min, 180. C @ 30. min |
Capillary | DB-Wax Etr | 2317. | Ibarz, Ferreira, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min |
Capillary | TC-FFAP | 2284. | Kurose and Yatagai, 2005 | 60. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C |
Capillary | DB-Wax | 2307. | Culleré, Escudero, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 2303. | López, Ezpeleta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C |
Capillary | DB-Wax | 2273. | Lee and Noble, 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min |
Capillary | DB-Wax | 2307. | Ferreira, Ortín, et al., 2002 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 2293. | Aznar, López, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 2296. | Ferreira, Aznar, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 2262. | Kotseridis and Baumes, 2000 | 30. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 2269. | Shimoda, Shiratsuchi, et al., 1993 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 2. K/min; Tend: 230. C |
Capillary | DB-Wax | 2269. | Shimoda, Shiratsuchi, et al., 1993 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 2. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Stabilwax | 2272. | Chinnici, Guerrero, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) |
Capillary | DB-Wax | 2258. | Tian, Zhang, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) |
Capillary | HP-Innowax | 2274. | Weldegergis B.T., Tredoux A.G.J., et al., 2007 | 30. m/0.25 mm/0.5 μm, He; Program: 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min) |
Capillary | DB-Wax | 2307. | Escudero, Gogorza, et al., 2004 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 230.09 | Williams and Horne, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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.
Lindberg, Jauhiainen, et al., 1972
Lindberg, J.J.; Jauhiainen, T.P.; Savolainen, A.,
Oxidative coupling of 2,6-disubstituted phenols and the heat of combustion of the resulting products,
Pap. Puu, 1972, 54, 91-93. [all data]
Grzybowski, Lamparczyk, et al., 1980
Grzybowski, J.; Lamparczyk, H.; Nasal, A.; Radecki, A.,
Relationship between the retention indices of phenols on polar and non-polar stationary phases,
J. Chromatogr., 1980, 196, 2, 217-223, https://doi.org/10.1016/S0021-9673(00)80441-0
. [all data]
Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R.,
Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
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Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
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da Silva, Borba, et al., 1999
da Silva, U.F.; Borba, E.L.; Semir, J.; Marsaioli, A.J.,
A simple solid injection device for the analyses of Bulbophyllum (Orchidaceae) volatiles,
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Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Varlet, Serot, et al., 2007
Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C.,
Olfactometric Determination of the Most Potent Odor-Active Compounds in Salmon Muscle (Salmo salar) Smoked by Using Four Smoke Generation Techniques,
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Comparison of odor-active volatile compounds of fresh and smoked salmon,
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Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil,
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Ré-Poppi and Santiago-Silva, 2002
Ré-Poppi, N.; Santiago-Silva, M.R.,
Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal,
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Evaluation of two quantitative gas chromatography-olfactometry methods for clonal red wines differentiation,
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Release of volatile odor compounds from full-fat and reduced-fat frankfurters,
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Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
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Mondello, L.,
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Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
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Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
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Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines,
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Notes
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