(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9?/m1/s1
- IUPAC Standard InChIKey: GRWFGVWFFZKLTI-VEDVMXKPSA-N
- CAS Registry Number: 7785-70-8
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 1R-α-Pinene; Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-; 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene-, (1R,5R)-; d-α-Pinene; 1R-(+)-α-Pinene; (R)-α-Pinene; α-Pinene, (D)-; Dextro-alpha-pinene; (+)-pin-2(3)-ene; α-Pinene(dextro)
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- Other data available:
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IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | Copyright (C) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | WESTERN REGIONAL RES. USDA |
| Source reference | COBLENTZ NO. 9885 |
| Date | 1967/06/28 |
| Name(s) | 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene 2-Pinene, d- |
| State | LIQUID (NEAT) |
| Instrument | CARY 90 (GRATING) |
| Instrument parameters | GRATING CHANGES: 3000, 2000, 1200 CM-1 |
| Path length | 0.0025 CM SEE SPECTRUM NO. 4986 FOR "PRISM" RUN |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY |
Gas Chromatography
Go To: Top, IR Spectrum, 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 937. | Dickens, 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 15. K/min, 235. C @ 2. min |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 937. | Dickens J.C., 2000 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 935. | Zeller and Rychlik, 2006 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 6. K/min; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 922. | Carasek and Pawliszyn, 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C |
| Capillary | VF-5MS | 922. | Carasek and Pawliszyn, 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C |
| Capillary | SE-54 | 929. | Buettner and Schieberle, 1999 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) |
| Capillary | SE-54 | 929. | Hinterholzer and Schieberie, 1998 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 1016. | Zeller and Rychlik, 2006 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 6. K/min; Tend: 230. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1010. | Buettner and Schieberle, 1999 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dickens, 1999
Dickens, J.C.,
Predator-prey interactions: olfactory adaptations of generalist and specialist predators,
Agric. For. Entomol., 1999, 1, 1, 47-54, https://doi.org/10.1046/j.1461-9563.1999.00007.x
. [all data]
Dickens J.C., 2000
Dickens J.C.,
Sexual maturation and temporal variation of neural responses in adult Colorado potato beetles to volatiles emitted by potato plants,
J. Chem. Ecol., 2000, 26, 5, 1265-1279, https://doi.org/10.1023/A:1005492229377
. [all data]
Zeller and Rychlik, 2006
Zeller, A.; Rychlik, M.,
Character impact odorants of fennel fruits and fennel tea,
J. Agric. Food Chem., 2006, 54, 10, 3686-3692, https://doi.org/10.1021/jf052944j
. [all data]
Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J.,
Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber,
J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942
. [all data]
Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P.,
Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden),
J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l
. [all data]
Hinterholzer and Schieberie, 1998
Hinterholzer, A.; Schieberie, P.,
Identification of the most odour-active volatiles in fresh, hand-extracted juice of valencia late oranges by odour dilution techniques,
Flavour Fragr. J., 1998, 13, 1, 49-55, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<49::AID-FFJ691>3.0.CO;2-S
. [all data]
Notes
Go To: Top, IR Spectrum, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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