4-Isopropyl-6-methyl-1-methylene-1,2,3,4-tetrahydronaphthalene
- Formula: C15H20
- Molecular weight: 200.3193
- IUPAC Standard InChI: InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,13H,4,6,8H2,1-3H3
- IUPAC Standard InChIKey: KFYISTOZYAKAPV-UHFFFAOYSA-N
- CAS Registry Number: 50277-34-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Naphthalene, 1,2,3,4-tetrahydro-6-methyl-1-methylene-4-(1-methylethyl)-; β-Calacorene; Calacorene B
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Kovats' 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 | DB-5 | DB-5 | DB-5 | PTE-5 | SE-30 |
| Column length (m) | 30. | 30. | 30. | 60. | 25. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.25 | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.39 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 70. |
| Tend (C) | 246. | 240. | 285. | 220. | |
| Heat rate (K/min) | 3. | 3. | 3. | 4.3 | 5. |
| Initial hold (min) | |||||
| Final hold (min) | 30. | ||||
| I | 1566. | 1564. | 1543. | 1565. | 1526. |
| Reference | Adams, Morris, et al., 2005 | Lucero, Estell, et al., 2003 | Marongiu, Piras, et al., 2003 | Gudzic, Dordevic, et al., 2001 | Kardali, Velasco-Negueruela, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | HP-5MS |
| Column length (m) | 30. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 50. | 70. |
| Tend (C) | 250. | 250. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | 5. | 5. |
| Final hold (min) | ||
| I | 1570. | 1555. |
| Reference | Tzakou, Harvala, et al., 2000 | Siani, Ramos, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Lucero, Estell, et al., 2003
Lucero, M.E.; Estell, R.E.; Frederickson, E.L.,
The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb.,
J. Essent. Oil Res., 2003, 15, 2, 108-111, https://doi.org/10.1080/10412905.2003.9712083
. [all data]
Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M.,
Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2,
Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Kardali, Velasco-Negueruela, et al., 2000
Kardali, M.; Velasco-Negueruela, A.; Pérez-Alonso, M.,
Essential Oil Constituents of Sideritis ibanyezii Pau,
Botanica Complutensis, 2000, 24, 101-106. [all data]
Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9
. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
Notes
Go To: Top, Kovats' 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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