Benzene, 4-ethyl-1,2-dimethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
- IUPAC Standard InChIKey: SBUYFICWQNHBCM-UHFFFAOYSA-N
- CAS Registry Number: 934-80-5
- 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: o-Xylene, 4-ethyl-; 1,2-Dimethyl-4-ethylbenzene; 2-Methyl-p-ethyltoluene; 4-Ethyl-o-xylene; 4-Ethyl-1,2-dimethylbenzene; 3,4-Dimethyl-1-ethylbenzene; 4-ethyL-1,2-dimethyldibenzene
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Mass spectrum (electron ionization)
Go To: Top, 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
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| 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. |
|---|---|
| NIST MS number | 20914 |
Gas Chromatography
Go To: Top, 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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-1 | 100. | 1076.5 | Zhu, Zhang, et al., 1999 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | CP Sil 2 | 80. | 1078.6 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
| Capillary | HP-1 | 60. | 1062. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | HP-1 | 60. | 1062. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | HP-1 | 100. | 1074. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | HP-1 | 100. | 1075. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | OV-1 | 100. | 1074.6 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
| Capillary | OV-1 | 120. | 1080.6 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
| Capillary | OV-1 | 100. | 1074.7 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, N2 |
| Capillary | OV-1 | 100. | 1074.5 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, H2 |
| Capillary | PONA | 100. | 1075.8 | Matisová and Kurán, 1990 | 50. m/0.2 mm/0.5 μm, H2 |
| Capillary | OV-101 | 100. | 1074. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 120. | 1081. | Matisová, Moravcová, et al., 1988 | N2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | Apolane | 120. | 1100. | Matisová, Moravcová, et al., 1988 | N2; Column length: 200. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1074. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1075. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1075. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1075. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 70. | 1066.1 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 86. | 1069.5 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
| Capillary | Squalane | 100. | 1073. | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
| Capillary | Squalane | 80. | 1064.95 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 1079. | Mitra, Mohan, et al., 1974 | H2; Column length: 50. m; Column diameter: 0.2 mm |
| Capillary | SE-30 | 65. | 1066.0 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
| Capillary | Squalane | 100. | 1072.0 | Svob and Deur-Siftar, 1974 | He; Column length: 10.5 m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1083.5 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
| Capillary | DB-5 | 1094. | Ramarathnam, Rubin, et al., 1993 | He, 30. C @ 2. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.13 mm |
| Capillary | OV-101 | 1068. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
| Capillary | Apiezon L | 1104. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH-100 | 1075.25 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
| Capillary | DB-1 | 1075. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 150. | 1325. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
| Capillary | Carbowax 20M | 150. | 1328. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
| Capillary | PEG-20M | 70. | 1357.2 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
| Capillary | Carbowax 20M | 100. | 1350.5 | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
| Capillary | Carbowax 20M | 90. | 1332.3 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 1076.8 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
| Capillary | DB-5 | 1092.5 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | PONA | 1067.1 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
| Capillary | PONA | 1070.3 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
| Capillary | Ultra-1 | 1069. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
| Capillary | Petrocol DH | 1069.99 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 1070.74 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 1071. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | OV-101 | 1068. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1085. | Engel, Baty, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) |
| Capillary | Methyl Silicone | 1091.78 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1379. | Le Guen, Prost, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min |
| Capillary | Supelcowax-10 | 1330. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
| Capillary | DB-Wax | 1371. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-Wax | 1364. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-Wax | 1354. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1076. | Vodenkova, Leol'ko, et al., 2005 | He; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1070. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 120. | 1077. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1079. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
| Capillary | HP-5 MS | 1082. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
| Capillary | Petrocol DH | 1075. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | VF-5 MS | 1088. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
| Capillary | VF-5 MS | 1089. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
| Capillary | OV-1 | 1069. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
| Capillary | OV-101 | 1070. | Orav, Kailas, et al., 1999, 2 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
| Capillary | HP-5 | 1091. | Wang and Fingas, 1995 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min |
| Capillary | DB-1 | 1064. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
| Capillary | CP Sil 5 CB | 1067. | Hartgers, Damste, et al., 1992 | 25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min |
| Capillary | OV-101 | 1075. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1088. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1089. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1093. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | HP-5 | 1078. | 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 | 1085. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | HP-5MS | 1083. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
| Capillary | Polymethylsiloxane, (PMS-20000) | 1066. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | Methyl Silicone | 1075. | Spieksma, 1999 | Program: not specified |
| Capillary | HP-5 | 1095. | Timón, Ventanas, et al., 1998 | 50. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) |
| Capillary | SE-30 | 1066. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
| Capillary | SE-30 | 1073. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
| Capillary | OV-101 | 1074. | Matisová, Juranyiová, et al., 1991 | 52. m/0.25 mm/0.38 μm, H2; Program: 70 - 160 C at 1.5 deg/min; 160 - 280 C at 15 deg/min 15 min at 280 C |
| Capillary | OV-1 | 1075.8 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C |
| Capillary | OV-1 | 1081.6 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
| Capillary | OV-1 | 1078.1 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
| Capillary | OV-1 | 1080.2 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1068. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1070. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 90. | 1332. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1362. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1355. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
| Capillary | Carbowax 20M | 1357. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | Carbowax 20M | 1332. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
| Capillary | PEG-20M | 1357. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
References
Go To: Top, 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.
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Notes
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