Benzene, 1,3-dimethyl-
- Formula: C8H10
- Molecular weight: 106.1650
- IUPAC Standard InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
- CAS Registry Number: 108-38-3
- 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: m-Xylene; m-Dimethylbenzene; m-Xylol; 1,3-Dimethylbenzene; 1,3-Xylene; 2,4-Xylene; m-Methyltoluene; meta-Xylene; NSC 61769; UN 1307; 1,3-dimethylbenzene (m-xylene)
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Normal alkane 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 | TR-5 MS | RTX-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | RTX-5 MS |
Column length (m) | 15. | 15. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) | 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) | not specified | not specified | 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C |
I | 866. | 866. | 872. | 874. | 864. |
Reference | Kurashov, Mitrukova, et al., 2014 | Nadaf, Halimi, et al., 2012 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Mebazaa, Mahmoudi, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 MS | HP-5 | DB-5 MS | DB-5 MS | Methyl Silicone |
Column length (m) | 30. | 50. | 30. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1.05 | 0.25 | 1.0 | 1.0 |
Program | not specified | not specified | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) | -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
I | 866. | 873. | 880. | 876. | 864. |
Reference | Mebazaa, Mahmoudi, et al., 2009 | Pugliese, Sirtori, et al., 2009 | Cajka, Hajslova, et al., 2007 | Liu, Xu, et al., 2007 | Blunden, Aneja, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | SE-30 | Polymethylsiloxane, (PMS-20000) | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40C(3min) => 4C/min => 75C => 8C/min => 250C | not specified | not specified | 60C (4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified |
I | 864. | 853. | 860. | 867. | 852. |
Reference | Vichi, Pizzale, et al., 2005 | Vinogradov, 2004 | Cornwell and Cordano, 2003 | Jordán, Martínez, et al., 2003 | Jordán, Goodner, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl phenyl siloxane (not specified) | HP-5MS | BP-1 | CP Sil 8 CB | DB-5 MS |
Column length (m) | 30. | 50. | 60. | 30. | |
Carrier gas | He | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 1.0 | |
Program | not specified | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min) | not specified | not specified |
I | 874. | 860. | 847.12 | 878. | 888. |
Reference | Poligne, Collignan, et al., 2002 | Ansorena, Gimeno, et al., 2001 | Cooke, Hassoun, et al., 2001 | Duckham, Dodson, et al., 2001 | Luo and Agnew, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | DB-1 | BPX-5 | Methyl Silicone | OV-1 |
Column length (m) | 50. | ||||
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | ||||
Phase thickness (μm) | 0.50 | ||||
Program | not specified | not specified | 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min) | not specified | not specified |
I | 866. | 856. | 877. | 863. | 854. |
Reference | Zhu and Wang, 2001 | Zhu and Wang, 2001 | Madruga, Arruda, et al., 2000 | Spieksma, 1999 | Zhu and He, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | Methyl Silicone | SPB-1 | DB-5 | DB-1 |
Column length (m) | 60. | 50. | 30. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | 0.53 | ||
Phase thickness (μm) | 5. | 0.25 | 1.5 | ||
Program | not specified | not specified | 40C(6min) => 5C/min => 80C => 10C/min => 200C | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) | 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min) |
I | 856. | 865. | 869. | 873. | 871. |
Reference | Zhu and He, 1999 | Zenkevich, 1998 | Flanagan, Streete, et al., 1997 | Mateo and Zumalacárregui, 1996 | Peng, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | DB-1 | OV-101 | DB-1 |
Column length (m) | 60. | 30. | |||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | |||
Phase thickness (μm) | 0.25 | 1. | |||
Program | not specified | not specified | not specified | not specified | 40C (4min) => 10C/min => 200C => 50C/min => 250C |
I | 860. | 866. | 855. | 866. | 863. |
Reference | Xiuhua, Zhang, et al., 1996 | Xiuhua, Zhang, et al., 1996 | Ciccioli, Cecinato, et al., 1994 | Dimov, Osman, et al., 1994 | Schuberth, 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | SPB-1 | SPB-1 | Squalane |
Column length (m) | 60. | 100. | 60. | 60. | |
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.53 | 0.53 | |
Phase thickness (μm) | 0.25 | 0.5 | 5.0 | 5.0 | |
Program | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min | not specified | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C | not specified | not specified |
I | 855. | 856. | 869. | 871. | 864.4 |
Reference | Ciccioli, Brancaleoni, et al., 1993 | Hathcock and Bertsch, 1993 | Strete, Ruprah, et al., 1992 | Strete, Ruprah, et al., 1992 | Dimov and Mekenyan, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | methyl silicone oil with 5% Igepal | DB-1 | DB-1 | OV-101 |
Column length (m) | 40. | 150. | 30. | 30. | |
Carrier gas | He | H2 | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.75 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C | not specified | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | not specified |
I | 868. | 852. | 845. | 852. | 863. |
Reference | Weller and Wolf, 1989 | Schultz, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-52 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 100. | 50. | 50. | 50. | 50. |
Carrier gas | Hydrogen | Hydrogen | Hydrogen | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.50 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | |||||
Program | not specified | not specified | not specified | not specified | not specified |
I | 876. | 849. | 852. | 854. | 858. |
Reference | van Langenhove and Schamp, 1986 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1 | SE-30 | Squalane | SE-30 |
Column length (m) | 50. | 6.1 | 3.0 | 6.1 | |
Carrier gas | Hydrogen | N2 | N2 | ||
Substrate | Chromosorb W | Embacel | Chrom W | ||
Column diameter (mm) | 0.32 | ||||
Phase thickness (μm) | |||||
Program | not specified | not specified | 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) | 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) | 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
I | 864. | 863. | 874. | 858. | 874. |
Reference | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 | Robinson and Odell, 1971 | Robinson and Odell, 1971 | Robinson and Odell, 1971, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
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Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina,
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Ciccioli, Brancaleoni, et al., 1993
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Massenspektroskopie und Headspace-GC,
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Schultz, Flath, et al., 1988
Schultz, T.H.; Flath, R.A.; Stern, D.J.; Mon, T.R.; Teranishi, R.; McKenna Kruse, S.; Butlder, B.; Howard, W.E.,
Coyote estrous urine volatiles,
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Takeoka, Flath, et al., 1988
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Nectarine volatiles: vacuum steam distillation versus headspace sampling,
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Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
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van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N.,
Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety,
J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5
. [all data]
Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8
. [all data]
Robinson and Odell, 1971, 2
Robinson, P.G.; Odell, A.L.,
Comparison of isothermal and non-linear temperature programmed gas chromatography. The temperature dependence of the retention indices of a number of hydrocarbons on squalane and SE-30,
J. Chromatogr., 1971, 57, 11-17, https://doi.org/10.1016/0021-9673(71)80002-X
. [all data]
Notes
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