Bicyclo[3.1.0]hexan-2-one, 1,5-bis(1,1-dimethylethyl)-3,3-dimethyl-
- Formula: C16H28O
- Molecular weight: 236.3929
- IUPAC Standard InChI: InChI=1S/C16H28O/c1-12(2,3)15-9-14(7,8)11(17)16(15,10-15)13(4,5)6/h9-10H2,1-8H3
- IUPAC Standard InChIKey: BPSOBKPRRBSNAW-UHFFFAOYSA-N
- CAS Registry Number: 19377-95-8
- 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. - Other names: Bicyclo[3.1.0]hexan-2-one, 1,5-di-tert-butyl-3,3-dimethyl-; 1,5-Ditert-butyl-3,3-dimethylbicyclo[3.1.0]hexan-2-one; 1,5-bis(1,1-Dimethylethyl)-3,3-dimethyl-bicyclo[3.1.0]hexan-2-one; Bicyclo[3.1.0]hexan-2-one, 1,5-bis-tert.-butyl-3,3-dimethyl
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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
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2073. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-Wax | 2108. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1565. | Dhanda, Pegg, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 5. K/min, 280. C @ 4. min |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y.,
Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography,
J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168
. [all data]
Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion,
J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037
. [all data]
Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J.,
Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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