Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-
- Formula: C15H22
- Molecular weight: 202.3352
- IUPAC Standard InChI: InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1
- IUPAC Standard InChIKey: SLKPBCXNFNIJSV-HNNXBMFYSA-N
- CAS Registry Number: 16982-00-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-; (+)-Cuparene; (R)-Cuparene; Cuparene; Cuparene, (+)-; 1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene; (R)-(+)-p-(1,2,2-trimethylcyclopentyl)toluene
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- Other data available:
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Normal alkane RI, 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 | Innowax | HP Innowax FSP | HP-Innowax FSC | Carbowax 20M | Innowax |
| Column length (m) | 60. | 60. | 60. | 60. | |
| Carrier gas | Helium | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
| I | 1822. | 1849. | 1849. | 1827. | 1849. |
| Reference | Noorizadeh, Farmany, et al., 2011 | Wedge, Klun, et al., 2009 | Sezik E., Kocakulak E., et al., 2005 | Vinogradov, 2004 | Tunaher, Kirimer, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Innowax | DB-Wax | NB-351 |
| Column length (m) | 60. | 30. | 25. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 |
| Program | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C | 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C | 35C(5min) => 2.5C/min => 150C => 5C/min => 240C (20min) |
| I | 1849. | 1818. | 1787. |
| Reference | Özcan, Akgül, et al., 2001 | Caldentey, Daria Fumi, et al., 1998 | Kerrola and Kallio, 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Noorizadeh, Farmany, et al., 2011
Noorizadeh, H.; Farmany, A.; Noorizadeh, M.,
Quantitative structure-retention relationships analysis of retention index of essential oils,
Quim. Nova, 2011, 34, 2, 242-249, https://doi.org/10.1590/S0100-40422011000200014
. [all data]
Wedge, Klun, et al., 2009
Wedge, D.E.; Klun, J.A.; Tabanca, N.; Demirci, B.; Ozek, T.; Baser, K.H.C.; Liu, Z.; Zhang, S.; Cantrell, C.L.; Zhang, J.,
Bioactivity-guided fractionation and GC/MS fingerprinting of Amgelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity,
J. Agric. Food Chem., 2009, 57, 2, 464-470, https://doi.org/10.1021/jf802820d
. [all data]
Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T.,
Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C.,
Wood essential oils of Juniperus foetidissima Willd.,
Holzforschung, 2003, 57, 140-144. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [all data]
Caldentey, Daria Fumi, et al., 1998
Caldentey, P.; Daria Fumi, M.; Mazzoleni, V.; Careri, M.,
Volatile compounds produced by microorganisms isolated from cork,
Flavour Fragr. J., 1998, 13, 3, 185-188, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<185::AID-FFJ723>3.0.CO;2-W
. [all data]
Kerrola and Kallio, 1994
Kerrola, K.M.; Kallio, H.P.,
Extraction of volatile compounds of angelica (Angelica archangelica L.) root by liquid carbon dioxide,
J. Agric. Food Chem., 1994, 42, 10, 2235-2245, https://doi.org/10.1021/jf00046a030
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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