Naphthalene, 1-methyl-
- Formula: C11H10
- Molecular weight: 142.1971
- IUPAC Standard InChI: InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
- IUPAC Standard InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N
- CAS Registry Number: 90-12-0
- 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: α-Methylnaphthalene; 1-Methylnaphthalene; Methyl-1-naphthalene
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Normal alkane RI, non-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 | Polydimethyl siloxane: CP-Sil 5 CB | HP-5 MS | Petrocol DH | VF-5 MS | VF-5 MS |
| Column length (m) | 60. | 30. | 100. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.0 | 0.25 | 0.50 | 0.25 | 0.25 |
| Tstart (C) | 45. | 35. | 20. | 30. | 30. |
| Tend (C) | 210. | 300. | 220. | 260. | 260. |
| Heat rate (K/min) | 3.6 | 3. | 15. | 2. | 2. |
| Initial hold (min) | 1.45 | 5. | 15. | ||
| Final hold (min) | 2.72 | 15. | 30. | 28. | 28. |
| I | 1299. | 1301. | 1289. | 1314. | 1315. |
| Reference | Bramston-Cook, 2013 | Kotowska, Zalikowski, et al., 2012 | Supelco, 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 MS | HP-5 MS | ZB-5 | SPB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 70. | 70. | 40. | 60. |
| Tend (C) | 290. | 290. | 290. | 280. | 250. |
| Heat rate (K/min) | 5. | 5. | 5. | 6. | 4. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 10. | 10. | 9. | 20. | |
| I | 1317. | 1317. | 1315. | 1325. | 1286. |
| Reference | Lazarevic, Radulovic, et al., 2010 | Radulovic, Blagojevic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Harrison and Priest, 2009 | Pino, Marquez, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | BP-1 | OV-1 | Ultra-1 |
| Column length (m) | 60. | 30. | 50. | 50. | |
| Carrier gas | He | Helium | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.22 | 0.2 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.75 | 0.33 | |
| Tstart (C) | 30. | 40. | 50. | 50. | 60. |
| Tend (C) | 260. | 250. | 200. | 160. | 300. |
| Heat rate (K/min) | 2. | 5. | 5. | 2. | 3. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 28. | 5. | 35. | ||
| I | 1312.4 | 1288. | 1328. | 1282. | 1290. |
| Reference | Leffingwell and Alford, 2005 | N/A | Health Safety Executive, 2000 | Orav, Kailas, et al., 1999 | Elizalde-González, Hutfliess, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | OV-101 | Ultra-1 | DB-1 | DB-1 |
| Column length (m) | 60. | 50. | 25. | 50. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.2 | 0.5 | 0.25 | ||
| Tstart (C) | 30. | 50. | 80. | 0. | 50. |
| Tend (C) | 240. | 250. | 260. | 250. | 250. |
| Heat rate (K/min) | 3. | 4. | 3. | 3. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | |||||
| I | 1276. | 1276. | 1277. | 1272. | 1278. |
| Reference | Ciccioli, Cecinato, et al., 1992 | Misharina, Golovnya, et al., 1991 | Okumura, 1991 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | SE-30 |
| Column length (m) | 60. | 50. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.5 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 40. |
| Tend (C) | 250. | 170. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 0.1 | 3. |
| Final hold (min) | 5. | |
| I | 1284. | 1289. |
| Reference | Flath, Mon, et al., 1983 | Heydanek and McGorrin, 1981 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Lazarevic, Radulovic, et al., 2010
Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B.,
Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
J. Essential Oil. Res., 2010, 22, 3, 153-156, https://doi.org/10.1080/10412905.2010.9700290
. [all data]
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [all data]
Pino, Marquez, et al., 2006
Pino, J.A.; Marquez, E.; Marbot, R.,
Volatile constituents from tea of roselle (Hibiscus sabdariffa L.),
Rev. CENIC Ciencias Quimicas, 2006, 37, 3, 127-129. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]
Elizalde-González, Hutfliess, et al., 1996
Elizalde-González, M.P.; Hutfliess, M.; Hedden, K.,
Retention index system, adsorption characteristics, and sructure correlations of polycyclic aromatic hydrocarbons in fuels,
J. Hi. Res. Chromatogr., 1996, 19, 6, 345-352, https://doi.org/10.1002/jhrc.1240190608
. [all data]
Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205
. [all data]
Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V.,
Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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