Benzene
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
- CAS Registry Number: 71-43-2
- 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: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene; Bicarburet of hydrogen; Carbon oil; Mineral naphtha; Motor benzol; Benzeen; Benzen; Benzin; Benzine; Benzolo; Fenzen; NCI-C55276; Phene; Rcra waste number U019; UN 1114; NSC 67315; 1,3,5-Cyclohexatriene
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Normal alkane RI, 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 | DB-Wax | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 30. | 60. | 60. | 30. | 30. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.35 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.50 | 0.5 | 0.5 | 0.325 | |
Tstart (C) | 40. | 40. | 35. | 40. | 50. |
Tend (C) | 260. | 200. | 240. | 260. | 215. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 4. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | 20. | |||
I | 957. | 937. | 955. | 957. | 983. |
Reference | Shimadzu, 2012 | Ganeko, Shoda, et al., 2008 | Chida, Sone, et al., 2004 | Shimadzu Corporation, 2003 | Kasali, Winterhalter, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | DB-Wax |
Column length (m) | 30. | 60. | 60. | 60. | |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 1. | |||
Tstart (C) | 25. | 50. | 40. | 70. | 50. |
Tend (C) | 220. | 200. | 200. | 150. | 230. |
Heat rate (K/min) | 4. | 3. | 2. | 5. | 4. |
Initial hold (min) | 2. | 21. | |||
Final hold (min) | 30. | 40. | 999. | 10. | |
I | 934. | 932. | 938. | 930. | 937. |
Reference | Duque, Bonilla, et al., 2001 | Horiuchi, Umano, et al., 1998 | Umano, Hagi, et al., 1995 | Herain, MRAVEC, et al., 1991 | Binder, Benson, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. |
Carrier gas | |||
Substrate | |||
Column diameter (mm) | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | |||
Tstart (C) | 50. | 50. | 50. |
Tend (C) | 230. | 230. | 250. |
Heat rate (K/min) | 4. | 4. | 4. |
Initial hold (min) | 0.1 | 0.1 | |
Final hold (min) | 10. | 10. | 5. |
I | 937. | 938. | 937. |
Reference | Binder, Turner, et al., 1990 | Binder, Flath, et al., 1989 | Binder and Flath, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Shimadzu, 2012
Shimadzu, Pharmaceutical Related,
Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]
Ganeko, Shoda, et al., 2008
Ganeko, N.; Shoda, M.; Hirohara, I.; Bhadra, A.; Ishida, T.; Matsuda, H.; Takamura, H.; Matoba, T.,
Analysis of volatile flavor compounds of sardine (Sardinops melanostica) by solid phase microextraction,
J. Food Sci., 2008, 73, 1, s83-s88, https://doi.org/10.1111/j.1750-3841.2007.00608.x
. [all data]
Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H.,
Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system,
J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p
. [all data]
Shimadzu Corporation, 2003
Shimadzu Corporation,
Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]
Kasali, Winterhalter, et al., 2002
Kasali, A.A.; Winterhalter, P.; Adio, A.M.; Knapp, H.; Bonnlander, B.,
Chromenes in Ageratum conyzoides L.,
Flavour Fragr. J., 2002, 17, 4, 247-250, https://doi.org/10.1002/ffj.1099
. [all data]
Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S.,
Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix,
Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8
. [all data]
Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T.,
Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide,
J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m
. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [all data]
Herain, MRAVEC, et al., 1991
Herain, J.; MRAVEC, D.; SCHNIERER, A.,
identification of the components of the reaction mixtures from transalkylation of the waste fraction of diisopropylbenzenes by capillary GC and GC-MS,
Chem. Listy, 1991, 85, 5, 535-538. [all data]
Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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