Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2β,5α)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: MQPHVIPKLRXGDJ-UHFFFAOYSA-N
- CAS Registry Number: 15358-88-0
- 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: 3-Pinanone, cis; Isocamphopinone; Isopinocamphon; Isopinocamphone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, (1α,2β,5α)-; Pinocamphone, cis-; (1S,2S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one-rel-; cis-Pinocamphone; cis-pinocamphone (isopinocamphone); (1α,2β,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- Information on this page:
- Other data available:
- Options:
Kovats' RI, non-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 |
|---|---|---|---|
| Active phase | DB-5MS | OV-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 40C (3min) => 5C/min => 160C (2min) => 10C/min => 280C (10min) | 44C(4min) => 3C/min => 74C => 6C/min => 134C => 12C/min => 312C | not specified |
| I | 1162. | 1150. | 1173. |
| Reference | Radulescu, Chiliment, et al., 2004 | El-Shazly, Dorai, et al., 2002 | Adams, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Radulescu, Chiliment, et al., 2004
Radulescu, V.; Chiliment, S.; Oprea, E.,
Capillary gas chromatography-mass spectrometry of volatile and semi-volatile compounds of Salvia officinalis,
J. Chromatogr. A, 2004, 1027, 1-2, 121-126, https://doi.org/10.1016/j.chroma.2003.11.046
. [all data]
El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M.,
Composition and antimicrobial activity of essential oil and hexane-ether extract of Tanacetum santolinoides (DC.) Feinbr. and Fertig,
Z. Naturforsch., 2002, 57c, 620-623. [all data]
Adams, 1998
Adams, R.P.,
The essential oils and chemotaxonomy of Juniperus sect. Juniperus,
Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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