p-Xylene
- Formula: C8H10
- Molecular weight: 106.1650
- IUPAC Standard InChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-N
- CAS Registry Number: 106-42-3
- 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. - Isotopologues:
- Other names: Benzene, 1,4-dimethyl-; p-Dimethylbenzene; p-Xylol; 1,4-Dimethylbenzene; 1,4-Xylene; p-Methyltoluene; para-Xylene; Chromar; Scintillar; 4-Methyltoluene; NSC 72419; UN 1307; 1,4-dimethyl-benzene ( p-xylene)
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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 | HP-5MS | DB-5MS | DB-1 | HP-5 | CP Sil 8 CB |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 1. | 0.25 | 0.25 |
Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) | 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) | 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
I | 870. | 875. | 863. | 888. | 872. |
Reference | Andriamaharavo, 2014 | Varlet V., Knockaert C., et al., 2006 | Place, Imhof, et al., 2003 | Engel, Baty, et al., 2002 | Oruna-Concha, Bakker, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | Methyl Silicone | DB-1 | SE-30 |
Column length (m) | 50. | 30. | 3.05 |
Carrier gas | He | He | |
Substrate | Supelcoport; Chromosorb | ||
Column diameter (mm) | 0.25 | 0.32 | |
Phase thickness (μm) | 1. | 1. | |
Program | -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) | 40C(3min) => 5C/min => 150C => 10C/min => 210C(30min) | 40C(5min) => 10C/min => 200C or 250C (60min) |
I | 879.49 | 854. | 875. |
Reference | Hassoun, Pilling, et al., 1999 | Mattinen, Tuominen, et al., 1995 | Peng, Ding, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T.,
Comparison of odor-active volatile compounds of fresh and smoked salmon,
J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p
. [all data]
Place, Imhof, et al., 2003
Place, R.B.; Imhof, M.; Teuber, M.; Olivier Bosset, J.,
Distribution of the volatile (flavour) compounds in Raclette cheese produced with different staphylococci in the smear,
Mitt. Lebensmittelunters. Hyg., 2003, 94, 192-211. [all data]
Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u
. [all data]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Hassoun, Pilling, et al., 1999
Hassoun, S.; Pilling, M.J.; Bartle, K.D.,
A catalogue of urban hydrocarbons for the city of Leeds: atmospheric monitoring of volatile organic compounds by thermal desorption-gas chromatography,
J. Environ. Monitor., 1999, 1, 5, 453-458, https://doi.org/10.1039/a904879k
. [all data]
Mattinen, Tuominen, et al., 1995
Mattinen, M.-L.; Tuominen, J.; Saarela, K.,
Analysis of TVOC and certain selected compounds from indoor air using GC/FID-RIM technique,
Indoor Air, 1995, 5, 1, 56-61, https://doi.org/10.1111/j.1600-0668.1995.t01-1-00009.x
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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