Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, [1S-(1α,5α,6β)]-
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3
- IUPAC Standard InChIKey: UASZOTVHPVEMQR-UHFFFAOYSA-N
- CAS Registry Number: 50764-55-1
- 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: (+)-trans-Chrysanthenyl acetate; trans-Chrysanthenyl acetate; Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1S,5R,6R)-; 2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl, acetate, [1S-(1α,5α,6β)]-; (1S,5R,6R)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate; trans-Chrisanthenyl acetate
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- Other data available:
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Gas Chromatography
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1242. | Asuming, Beauchamp, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1239. | Barbosa, Paula, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 15. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1237.9 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Barbosa, Paula, et al., 2005
Barbosa, L.C.A.; Paula, V.F.; Azevedo, A.S.; Silva, E.A.M.; Nascimento, E.A.,
Essential oil composition from some plant parts of Conyza bonariensis (L.) Cronquist,
Flavour Fragr. J., 2005, 20, 1, 39-41, https://doi.org/10.1002/ffj.1392
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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