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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- Information on this page:
- Other data available:
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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 | BPX-5 | HP-5 | DB-5 | CP Sil 8 CB | DB-5 |
| Column length (m) | 7.5 | 30. | 50. | 30. | |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.10 | 0.32 | 0.32 | 0.25 | |
| Phase thickness (μm) | 10. | 0.25 | 0.25 | 0.25 | |
| Program | not specified | not specified | 60C => 2C/min => 100C => 3C/min => 160C => 5C/min => 280C | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 40C(1min) => 9C/min => 130C => 2C/min => 230C |
| I | 1536. | 1532. | 1533. | 1535. | 1528. |
| Reference | Shellie, 2008 | Liolios, Laouer, et al., 2007 | Srivastava, Mallavarapu, et al., 2006 | Butkienë, Nivinskienë, et al., 2005 | Hamm, Bleton, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | CP Sil 8 CB | DB-5 | CP Sil 8 CB |
| Column length (m) | 50. | 30. | 50. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 40C (1min) => 9C/min => 130C => 2C/min => 230C | 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) |
| I | 1535. | 1528. | 1532. |
| Reference | Butkienë, Nivinskienë, et al., 2004 | Hamm, Lesellier, et al., 2003 | Mockute, Nivinskiene, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | 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.
Shellie, 2008
Shellie, R.A.,
Comprehensive 2D GC-QPMS with differential flow modulation,
LV-GC, 2008, 11, 7-18. [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, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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