Phenanthrene, 4,9-dimethyl-

Formula: C₁₆H₁₄
Molecular weight: 206.2824
IUPAC Standard InChI: InChI=1S/C16H14/c1-11-6-5-7-13-10-12(2)14-8-3-4-9-15(14)16(11)13/h3-10H,1-2H3
IUPAC Standard InChIKey: INEVTIBHCBCQAP-UHFFFAOYSA-N
CAS Registry Number: 66291-34-7
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 4,9-dimethylphenanthrene
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Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	344.26	Pedersen, Durant, et al., 2005	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
Capillary	DB-5	344.34	Williams and Horne, 1995	He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; T_end: 270. C
Capillary	CP Sil 8 CB	344.8	Bundt, Herbel, et al., 1991	50. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 80. C; T_end: 300. C
Capillary	CP Sil 8 CB	343.20	Garrigues, Parlanti, et al., 1987	50. m/0.22 mm/0.13 μm, H2, 120. C @ 2. min, 3. K/min; T_end: 270. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	342.99	Zamperlini, Silva, et al., 1997	30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min)
Capillary	CP Sil 8 CB	343.9	Bundt, Herbel, et al., 1991	50. m/0.25 mm/0.25 μm, He; Program: not specified
Capillary	CP Sil 8 CB	344.0	Bundt, Herbel, et al., 1991	50. m/0.25 mm/0.25 μm, He; Program: not specified

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Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds., Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c . [all data]

Williams and Horne, 1995
Williams, P.T.; Horne, P.A., Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass, J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H . [all data]

Bundt, Herbel, et al., 1991
Bundt, J.; Herbel, W.; Steinhart, H.; Franke, S.; Francke, W., Structure-type separation of diesel fuels by solid phase extraction and identification of the two- and three-ring aromatics by capillary GC-mass spectrometry, J. Hi. Res. Chromatogr., 1991, 14, 2, 91-98, https://doi.org/10.1002/jhrc.1240140205 . [all data]

Garrigues, Parlanti, et al., 1987
Garrigues, P.; Parlanti, E.; Radke, M.; Bellocq, J.; Willsch, H.; Ewald, M., Identification of alkylphenanthrenes in shale oil and coal by liquid and capillary gas chromatography and high-resolution spectrofluorimetry (Shpol'skii effect), J. Chromatogr., 1987, 395, 217-228, https://doi.org/10.1016/S0021-9673(01)94112-3 . [all data]

Zamperlini, Silva, et al., 1997
Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W., Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry, Chromatographia, 1997, 46, 11/12, 655-663, https://doi.org/10.1007/BF02490527 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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