Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2α,5α)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChIKey: MQPHVIPKLRXGDJ-UHFFFAOYSA-N
- CAS Registry Number: 547-60-4
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: trans-3-Pinanone; (E)-Pinocamphone; trans-Pinocamphone; Pinocamphone, trans; Pinocamphone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, (1α,2α,5α)-; (1R,2S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one-rel-; 30517-87-4; 3-Pinanone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one; trans-pinocamphone (pinocamphone); (1α,2α,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, 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-Innowax FSC | Innowax FSC | Innowax FSC | FFAP | DB-Wax |
Column length (m) | 60. | 60. | 60. | 25. | 60. |
Carrier gas | He | He | H2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) | not specified |
I | 1535. | 1536. | 1535. | 1534. | 1536. |
Reference | Sezik E., Kocakulak E., et al., 2005 | Baser, Demirci, et al., 2003 | Tunalier, Kirimer, et al., 2002 | Reddy, Angers, et al., 1998 | Weyerstahl, Marschall, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | NB-351 |
Column length (m) | 25. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 0.2 |
Program | 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
I | 1506. |
Reference | Kerrola, Galambosi, et al., 1994 |
Comment | 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.
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]
Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E.,
Essential oils of some Boswellia spp., myrrh and opopanax,
Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166
. [all data]
Tunalier, Kirimer, et al., 2002
Tunalier, Z.; Kirimer, N.; Baser, K.H.C.,
The composition of essential oils from various parts of Juniperus foetidissima,
Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 43-47, https://doi.org/10.1023/A:1015725630556
. [all data]
Reddy, Angers, et al., 1998
Reddy, M.V.B.; Angers, P.; Gosselin, A.; Arul, J.,
Characterization and use of essential oil from Thymus vulgaris against Botrytis cinerea and Rhizopus stolonifer in strawberry fruits,
Phytochemistry, 1998, 47, 8, 1515-1520, https://doi.org/10.1016/S0031-9422(97)00795-4
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Kerrola, Galambosi, et al., 1994
Kerrola, K.; Galambosi, B.; Kallio, H.,
Volatile components and odor intensity of four phenotypes of hyssop (Hyssopus officinalis L.),
J. Agric. Food Chem., 1994, 42, 3, 776-781, https://doi.org/10.1021/jf00039a035
. [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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