Phenol, 2,6-dimethyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChI: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
- IUPAC Standard InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
- CAS Registry Number: 576-26-1
- 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: 2,6-Xylenol; 2,6-Dimethylphenol; 1,2,6-Xylenol; 1,3-Dimethyl-2-hydroxybenzene; 1-Hydroxy-2,6-dimethylbenzene; 2,6-Dmp; NSC 2123
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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 | TR-1 | TR-1 | VF-5 MS | DB-5 | BP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.75 |
| Tstart (C) | 50. | 50. | 60. | 40. | 50. |
| Tend (C) | 300. | 300. | 280. | 250. | 200. |
| Heat rate (K/min) | 5. | 5. | 6. | 8. | 5. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 3. | 5. | |||
| I | 1080. | 1079. | 1105. | 1128. | 1093. |
| Reference | Gruzdev, Kuzivanov, et al., 2012 | Gruzdev, Kuzivanov, et al., 2012, 2 | Souza, Re-Poppi, et al., 2012 | Czerny, Brueckner, et al., 2011 | Health Safety Executive, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | Ultra-1 |
| Column length (m) | 30. | 25. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.241 | 0.25 |
| Tstart (C) | 60. | 80. |
| Tend (C) | 160. | 260. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 2. | |
| Final hold (min) | ||
| I | 1106.31 | 1076. |
| Reference | Kim, Kim, et al., 1993 | Okumura, 1991 |
| Comment | 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.
Gruzdev, Kuzivanov, et al., 2012
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M.,
Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indices,
Rus. J. Appl. Chem., 2012, 85, 9, 1355-1365, https://doi.org/10.1134/S1070427212090108
. [all data]
Gruzdev, Kuzivanov, et al., 2012, 2
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M.,
Gas chromatographic determination of methylsubstituted phenols in aqueous media with preliminary iodination,
Rus. J. Anal. Chem., 2012, 68, 2, 175-183. [all data]
Souza, Re-Poppi, et al., 2012
Souza, J.B.G.; Re-Poppi, N.; Raposo, J.L.(Jr).,
Characterization of pyroligneous acid used in agriculture by gas chromatography - mass spectrometry (in press),
J. Braz. Chem. Soc., 2012, 00, 00, 1-8. [all data]
Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A.,
The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols,
Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Kim, Kim, et al., 1993
Kim, K.-R.; Kim, J.-H.; Park, H.-K.; Oh, C.-H.,
Dual capillary column system for the qualitative gas chromatography: 2. Comparison between splitless and on-column injection modes,
Bull. Korean Chem. Soc., 1993, 14, 2, 250-255. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Notes
Go To: Top, Normal alkane 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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