Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3
- IUPAC Standard InChIKey: JUQGWBAOQUBVFP-UHFFFAOYSA-N
- CAS Registry Number: 16728-99-7
- 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. - Stereoisomers:
- Other names: Naphthalene, 1,2,3,4,6,8a-hexahydro-1-isopropyl-4,7-dimethyl-; 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene; 1,2,3,4,4a,7-Hexahydro-1,6-dimethyl-4-(1-methylethyl)-naphthalene; 1,2,3,4,6,8a-Hexahydro-1-isopropyl-4,7-dimethyl-naphthalene; 4,10-Dimethyl-7-isopropyl[4,4,0]-bicyclo-1,4-decadiene; Cadina-1(2),4-diene; Cada-1,4-diene; Cadine-1,4-diene; Cadinadiene-1,4; Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-isopropyl; naphthalene,1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methyl); 1,2,3,4,4a,7-Hexahydro-1,6-dimethyl-4-isopropylnaphthalene
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1515. | Idzojtic, Kajba, et al., 2005 | 50. m/0.22 mm/0.13 μm, H2, 4. K/min, 300. C @ 10. min; Tstart: 40. C |
| Capillary | Optima 5 | 1525. | Vérité, Nacer, et al., 2004 | 25. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1524. | Moon, Cliff, et al., 2006 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 3C/min => 180C => 10C/min => 260C(2min) |
| Capillary | DB-1 | 1546. | Eri, Khoo, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1797. | Carrer, Vanderlinde, et al., 2007 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 40C(8min) => 3C/min => 180C => 20C/min => 230C (20min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1540. | Shellie, 2008 | 7.5 m/0.10 mm/10. μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1539. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | OV-101 | 1519. | Orav, Kailas, et al., 1996 | He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1536. | Shellie, 2008 | 7.5 m/0.10 mm/10. μm, Helium; Program: not specified |
| Capillary | HP-5 | 1532. | Liolios, Laouer, et al., 2007 | Program: not specified |
| Capillary | DB-5 | 1533. | Srivastava, Mallavarapu, et al., 2006 | 30. m/0.32 mm/0.25 μm, He; Program: 60C => 2C/min => 100C => 3C/min => 160C => 5C/min => 280C |
| Capillary | CP Sil 8 CB | 1535. | Butkienë, Nivinskienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) |
| Capillary | DB-5 | 1528. | Hamm, Bleton, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C |
| Capillary | CP Sil 8 CB | 1535. | Butkienë, Nivinskienë, et al., 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) |
| Capillary | DB-5 | 1528. | Hamm, Lesellier, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (1min) => 9C/min => 130C => 2C/min => 230C |
| Capillary | CP Sil 8 CB | 1532. | Mockute, Nivinskiene, et al., 2003 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Idzojtic, Kajba, et al., 2005
Idzojtic, M.; Kajba, D.; Franjic, J.,
Differentiation of F1 hybrids P. nigra J. F. Arnold × P. sylvestris L., P. nigra J. F. Arnold × P. densiflora Siebold et Zucc., P. nigra J. F. Arnold × P. thunbergiana Franco and their parental species by needle volatile composition,
Biochem. Syst. Ecol., 2005, 33, 4, 427-439, https://doi.org/10.1016/j.bse.2004.10.008
. [all data]
Vérité, Nacer, et al., 2004
Vérité, P.; Nacer, A.; Kabouche, Z.; Seguin, E.,
Composition of seeds and stems essential oils of Pituranthos scoparius (Coss. Dur.) Schinz,
Flavour Fragr. J., 2004, 19, 6, 562-564, https://doi.org/10.1002/ffj.1353
. [all data]
Moon, Cliff, et al., 2006
Moon, S.-Y.; Cliff, M.A.; Li-Chan, E.C.Y.,
Odour-active components of simulated beef flavour analysed by solid phase microextraction and gas chromatography-mass spectrometry and -olfactometry,
Food Res. Int., 2006, 39, 3, 294-308, https://doi.org/10.1016/j.foodres.2005.08.002
. [all data]
Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G.,
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization,
J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850
. [all data]
Carrer, Vanderlinde, et al., 2007
Carrer, R.P.; Vanderlinde, R.; Dutra, S.; Marcon, A.; Echeverrigaray, S.,
Essential oil variation among Brazilian accessions of Salvia guaranitica L.,
Flavour Fragr. J., 2007, 22, 5, 430-434, https://doi.org/10.1002/ffj.1817
. [all data]
Shellie, 2008
Shellie, R.A.,
Comprehensive 2D GC-QPMS with differential flow modulation,
LV-GC, 2008, 11, 7-18. [all data]
Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Orav, Kailas, et al., 1996
Orav, A.; Kailas, T.; Liiv, M.,
Analysis of terpenoic composition of conifer needle oils by steam distillation/extraction, gas chromatography and gas chromatography-mass spectrometry,
Chromatographia, 1996, 43, 3/4, 215-219, https://doi.org/10.1007/BF02292955
. [all data]
Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I.,
Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei,
Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772
. [all data]
Srivastava, Mallavarapu, et al., 2006
Srivastava, S.; Mallavarapu, G.R.; Rai, S.K.; Singh, D.; Mishra, R.; Pandey-Rai, S.; Kumar, S.,
Composition of the essential oils of the leaves and flowers of Rhus mysurensis Heyne ex Wight Arn growing in the Aravalli mountain range at New Delhi,
Flavour Fragr. J., 2006, 21, 2, 228-229, https://doi.org/10.1002/ffj.1561
. [all data]
Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2005, 16, 1, 53-60. [all data]
Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A.,
A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples,
Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025
. [all data]
Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2004, 15, 4, 57-63. [all data]
Hamm, Lesellier, et al., 2003
Hamm, S.; Lesellier, E.; Bleton, J.; Tchapla, A.,
Optimization of headspace solid phase microextraction for gas chromatography/mass spectrometry analysis of widely different volatility and polarity terpenoids in olibanum,
J. Chromatogr. A, 2003, 1018, 1, 73-83, https://doi.org/10.1016/j.chroma.2003.08.027
. [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]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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