Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, acetate
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3
- IUPAC Standard InChIKey: PBWRFXQNNGSAQG-UHFFFAOYSA-N
- CAS Registry Number: 3536-54-7
- 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. - Stereoisomers:
- Other names: 4(10)-Thujen-3-ol, acetate; Sabinyl acetate; β-Sabinyl acetate
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- Information on this page:
- Other data available:
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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 | HP-5 MS | SE-52 | CP Sil 8 CB | HP-5 | DB-1 |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | Helium | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | 0.25 |
| Program | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | 45C => 3C/min => 175C => 15C => 240C(10min) |
| I | 1295. | 1291. | 1291. | 1295. | 1277. |
| Reference | Mancini, Arnold, et al., 2009 | Tognolini, Barocelli, et al., 2006 | Nivinskienë, Butkienë, et al., 2005 | Senatore, Apostolides Arnold, et al., 2004 | da Silva, Figueiredo, 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 | 1262. |
| Reference | Shibamoto, 1987 |
| 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.
Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D.,
Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania,
Chemija, 2005, 16, 3-4, 51-54. [all data]
Senatore, Apostolides Arnold, et al., 2004
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.,
Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
J. Chromatogr. A, 2004, 1052, 1-2, 237-240, https://doi.org/10.1016/j.chroma.2004.08.095
. [all data]
da Silva, Figueiredo, et al., 1998
da Silva, J.A.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Gomes, M.A.; Fontinha, S.S.; Scheffer, J.J.C.,
Composition of the essential oil of Melanoselinum decipiens (Schrad. Wendl.) Hoffm., an endemic species of the Madeira and Azores archipelagos,
Flavour Fragr. J., 1998, 13, 2, 90-92, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<90::AID-FFJ700>3.0.CO;2-D
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [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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