1,2,5-Trimethylnaphthalene

Formula: C₁₃H₁₄
Molecular weight: 170.2503
IUPAC Standard InChI: InChI=1S/C13H14/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3/h4-8H,1-3H3
IUPAC Standard InChIKey: KTDQNLIDLMRHCJ-UHFFFAOYSA-N
CAS Registry Number: 641-91-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Naphthalene, 1,2,5-trimethyl-
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Gas Chromatography

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

Van Den Dool and Kratz RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1556.	Havenga and Rohwer, 1999	30. m/0.25 mm/0.25 μm, He; Program: 60 0C 7 0C/min -> 130 0C 5 0C/min -> 200 0C 6 0C/min -> 260 0C 20 0C/min -> 320 0C (4 min)

Lee's RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	270.52	Sun, Zhou, et al., 2008	30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 6. K/min, 300. C @ 16. min
Capillary	DB-5	270.75	Wang, Fingas, et al., 1994	30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; T_end: 300. C
Capillary	CP Sil 8 CB	270.0	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	DB-5	269.47	Forster, Alexander, et al., 1989	H2, 2. K/min, 300. C @ 10. min; Column length: 60. m; Column diameter: 0.20 mm; T_start: 70. C

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	269.5	Bundt, Herbel, et al., 1991	50. m/0.25 mm/0.25 μm, He; Program: not specified

References

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Havenga and Rohwer, 1999
Havenga, W.J.; Rohwer, E.R., Chemical Characterization and Screening of Hydrocarbon Pollution in Industrial Soils by Headspace Solid-Phase Microextraction, J. Chromatogr., 1999, 848, 1-2, 279-295, https://doi.org/10.1016/S0021-9673(99)00522-1 . [all data]

Sun, Zhou, et al., 2008
Sun, P.; Zhou, Q.; Li, G.; Wang, X.; Zhao, Y.; Cao, L., fingerprint analysis of polycyclic aromatic hydrocarbons in crude oil by internal standard method, J. Instrumental Anal., 2008, 27, 4, 344-348. [all data]

Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K., Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II, J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367 . [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]

Forster, Alexander, et al., 1989
Forster, P.G.; Alexander, R.; Kagi, R.I., Identification and analysis of tetramethylnaphthalenes in petroleum, J. Chromatogr., 1989, 483, 384-389, https://doi.org/10.1016/S0021-9673(01)93138-3 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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