Naphthalene, 1,6-dimethyl-4-(1-methylethyl)-
- Formula: C15H18
- Molecular weight: 198.3034
- IUPAC Standard InChIKey: VMOJIHDTVZTGDO-UHFFFAOYSA-N
- CAS Registry Number: 483-78-3
- 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: Naphthalene, 4-isopropyl-1,6-dimethyl-; Cadalene; Cadalin; 4-Isopropyl-1,6-dimethylnaphthalene; 1,6-dimethyl-4-(1-methylethyl) naphthalene; 1,6-Dimethyl-4-isopropylnaphthaIene; 1,6-Dimethyl-4-isopropylnaphthalene
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Normal alkane RI, non-polar column, custom temperature program
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 | TR-5 MS | HP-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | 5 % Phenyl polydimethyl siloxane |
Column length (m) | 15. | 30. | |||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) | not specified | not specified | not specified | not specified |
I | 1663. | 1674. | 1684. | 1690. | 1676. |
Reference | Kurashov, Mitrukova, et al., 2014 | Kotowska, Zalikowski, et al., 2012 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Chaverri, Diaz, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | DB-5 | HP-5 | HP-5 | HP-5 MS |
Column length (m) | 30. | 30. | 25. | 25. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.17 | 0.17 | 0.25 |
Program | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) |
I | 1671. | 1635. | 1671. | 1676. | 1677. |
Reference | Nance and Setzer, 2011 | Courtois, Paine, et al., 2009 | Custer, 2009 | Custer, 2009 | Mancini, Arnold, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | HP-5MS | DB-5 | SE-54 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | Helium | Helium | He | He | 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 |
Program | 35 0C 1 0C/min -> 60 0C 3 0C/min -> 170 0C 8 0C/min -> 200 0C 15 0C/min -> 280 0C (5 min) | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 50C(1min) => 3C/min => 250C(10min) => 20C/min => 280C (5min) | 110 0C 2 0C/min -> 160 0C 5 0C/min -> 290 0C (5 min) |
I | 1671. | 1674. | 1672. | 1663. | 1636. |
Reference | Gazim, Rezende, et al., 2008 | Gazim, Rezende, et al., 2008 | Cole, Haber, et al., 2007 | Parker, Pollnitz, et al., 2007 | Souza, Souza, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-52 | HP-5 | SE-30 | SE-54 |
Column length (m) | 25. | 30. | 30. | 25. | |
Carrier gas | Helium | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | |
Program | not specified | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | not specified | 110C(2min) => 3C/min => 130C => 8.5C => 290C |
I | 1637. | 1677. | 1677. | 1650. | 1637. |
Reference | Souza, Souza, et al., 2006 | Tognolini, Barocelli, et al., 2006 | Senatore, Apostolides Arnold, et al., 2004 | Vinogradov, 2004 | Lima, Veiga, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | DB-5 | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 50. | 25. | 25. | 25. | |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.39 | |||
Phase thickness (μm) | 0.25 | 0.39 | 0.39 | ||
Program | 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) | not specified | not specified | not specified | not specified |
I | 1674. | 1678. | 1663. | 1654. | 1671. |
Reference | Mockute, Nivinskiene, et al., 2003 | Morteza-Semnani and Vahedi, 2002 | Weyerstahl, Marschall, et al., 1999 | Weyerstahl, Marschall, et al., 1998 | Weyerstahl, Marschall, et al., 1998, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | CP Sil 5 CB |
Column length (m) | 25. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1661. |
Reference | Weyerstahl, Marschall, et al., 1998, 3 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [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]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F.,
Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines,
J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018
. [all data]
Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N.,
Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing,
J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725
. [all data]
Gazim, Rezende, et al., 2008
Gazim, Z.C.; Rezende, C.M.; Fraga, S.R.; Filho, B.P.D.; Cortez, D.A.G.,
Analysis of the essential oils from Calendula officinalis growing in Brazil using three different exteraction procedures,
Brazilian J. Pharmaceutical Sci., 2008, 44, 3, 391-395. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Parker, Pollnitz, et al., 2007
Parker, M.; Pollnitz, A.P.; Cozzolino, D.; Leigh Francis, I.; Herderich, M.J.,
Identification and Quantification of a Marker Compound for 'Pepper' Aroma and Flavor in Shiraz Grape Berries by Combination of Chemometrics and Gas Chromatography-Mass Spectrometry,
J. Agric. Food Chem., 2007, 55, 15, 5948-5955, https://doi.org/10.1021/jf0705320
. [all data]
Souza, Souza, et al., 2006
Souza, M.A.A.; Souza, S.R.; Veiga, V.F., Jr.; Cortez, J.K.P.C.; Leal, R. de.S.; Dantas, T.N.C.; Maciel, M.A.M.,
Composicao quimica do oleo fixo de Croton cajucara e determinacao das suas propridades fungicidas,
Braz. J. Pharmacognosy, 2006, 16, 599-610. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Senatore, Apostolides Arnold, et al., 2004
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.,
Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
J. Chromatogr. A, 2004, 1052, 1-2, 237-240, https://doi.org/10.1016/j.chroma.2004.08.095
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Lima, Veiga, et al., 2003
Lima, S.R.M.; Veiga, V.F., Jr.; Christo, H.B.; Pinto, A.C.; Fernandes, P.D.,
In vivo and in vitro studies on the anticancer activity of Copaifera multijuga Hayne and its fractions,
Phytother. Res., 2003, 17, 9, 1048-1053, https://doi.org/10.1002/ptr.1295
. [all data]
Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R.,
The cis-thujone chemotype of Salvia officinalis L. essential oils,
Chemija, 2003, 14, 4, 216-220. [all data]
Morteza-Semnani and Vahedi, 2002
Morteza-Semnani, K.; Vahedi, M.,
Volatile constituents of Iranian Hypericum perforatum L.,
Proceedings of ICNP-2002 - Trabzon/Turkiye, 2002, 342-344. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Son, P.T.; Giang, P.M.,
Constituents of the flower essential oil of Aglaia odorata Lour. from Vietnam,
Flavour Fragr. J., 1999, 14, 4, 219-224, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<219::AID-FFJ815>3.0.CO;2-#
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C.,
Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe,
Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F
. [all data]
Weyerstahl, Marschall, et al., 1998, 3
Weyerstahl, P.; Marschall, H.; Wolf, D.,
Constituents of commercial Brazilian cabore oil,
Flavour Fragr. J., 1998, 13, 2, 85-86, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<85::AID-FFJ697>3.0.CO;2-9
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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