4-Isopropyl-6-methyl-1-methylene-1,2,3,4-tetrahydronaphthalene
- Formula: C15H20
- Molecular weight: 200.3193
- 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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Normal alkane RI, non-polar column, custom temperature program
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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 with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | DB-5 | SPB-5 | SPB-5 |
Column length (m) | 30. | ||||
Carrier gas | Helium | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | ||||
Phase thickness (μm) | 0.25 | ||||
Program | not specified | not specified | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | not specified | not specified |
I | 1564. | 1578. | 1547. | 1560. | 1576. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Courtois, Paine, et al., 2009 | Kilani, Ledauphin, et al., 2008 | Kilani, Ledauphin, et al., 2008 |
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 8 CB | HP-5MS | Methyl Silicone |
Column length (m) | 50. | 30. | 50. | 30. | |
Carrier gas | Helium | He | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 50C(1min) => 3C/min => 250C(10min) => 20C/min => 280C (5min) | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | 40C(10min) => 3C/min => 200C => 2C/min => 220C | not specified |
I | 1566. | 1566. | 1566. | 1563. | 1559. |
Reference | Kupcinskiene, Stikliene, et al., 2008 | Parker, Pollnitz, et al., 2007 | Radusiene, Judzentiene, et al., 2007 | Takaku, Haber, et al., 2007 | Couladis, Özcan, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | CP Sil 8 CB | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 50. | 50. | 25. | 25. | 25. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.39 | ||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) | not specified | not specified | not specified |
I | 1563. | 1562. | 1551. | 1558. | 1555. |
Reference | Judpentienë and Mockutë, 2004 | Mockute, Nivinskiene, et al., 2003 | Weyerstahl, Marschall, et al., 2000 | Weyerstahl, Marschall, et al., 1999 | Weyerstahl, Marschall, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-101 |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1552. |
Reference | Menut, Lamaty, et al., 1994 |
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.
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]
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]
Kilani, Ledauphin, et al., 2008
Kilani, S.; Ledauphin, J.; Bouhlel, I.; Ben Sghaier, M.; Boubaker, J.; Skandrani, I.; Mosrati, R.; Ghedira, K.; Barillier, D.; Chekir-Ghedira, L.,
Comparative study of Cyperus rotundus essential oil by a modified GC/MS analysis method. Evaluation of its antioxidantt, cytotoxic, and apoptoic effects,
Chem. Biodiversity, 2008, 5, 5, 729-742, https://doi.org/10.1002/cbdv.200890069
. [all data]
Kupcinskiene, Stikliene, et al., 2008
Kupcinskiene, E.; Stikliene, A.; Judzentiene, A.,
The essential oil guatitative composition in the needles of Pinus sylvestris L. growing along industrial transects,
Environ. Pollution, 2008, 155, 3, 481-491, https://doi.org/10.1016/j.envpol.2008.02.001
. [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]
Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V.,
Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations,
Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928
. [all data]
Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N.,
Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003
. [all data]
Couladis, Özcan, et al., 2004
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A.,
Menengic (Pistacia terebinthus L.) agacinin degisik organlarinda ucucu yag bilesimi, Bitkisel Ilac Hammaddeleri Toplantisi, Bildiriler, 29-31 Mayis 2002, 2004, 6. [all data]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius,
Chemija, 2004, 15, 4, 64-68. [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]
Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H.,
Constituents of Haitian vetiver oil,
Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9
. [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.; 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]
Menut, Lamaty, et al., 1994
Menut, C.; Lamaty, G.; Bessiere, J.M.; Ayedoun, M.A.; Setondji, J.; Samate, D.; Nacro, M.,
Aromatic Plants from Tropical West Africa. II. Volatile Constituents of Daniella oliveri (Rolfe) Hutch Dalz. from Benin and Burkina Faso,
J. Essent. Oil Res., 1994, 6, 6, 647-649, https://doi.org/10.1080/10412905.1994.9699362
. [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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