Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
- IUPAC Standard InChIKey: NDVASEGYNIMXJL-UHFFFAOYSA-N
- CAS Registry Number: 3387-41-5
- 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: 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane; 4(10)-Thujene; Sabinen; Sabinene; (+)-Sabinene; THUJENE, 4(10)-; NSC 407278; Sabinene [ (1R, 5R)-(+), (1S, 5S)-(-) ]; α-Sabinene; Thuja-2,4(10)-diene; Sabinene (β-Thujene); 4-thujene; 1-isopropyl-4-methylenebicyclo[3.1.0]hexane (sabinene); β-Sabinene; thuj-4(10)-ene
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Kovats' RI, polar column, isothermal
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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 152. | 150. | |||
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.8 | 0.75 | |||
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | ||
| Temperature (C) | 100. | 70. | 90. | 70. | 70. |
| I | 1136. | 1132.9 | 1133. | 1136. | 1130. |
| Reference | Saeed, Redant, et al., 1979 | Saeed, Redant, et al., 1979 | Saeed, Redant, et al., 1979 | Kepner, Ellison, et al., 1974 | Malingré and Maarse, 1974 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Saeed, Redant, et al., 1979
Saeed, T.; Redant, G.; Sandra, P.,
Kovats Indices of Monoterpene Hydrocarbons on Glass Capillary Columns,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1979, 2, 2, 75-76, https://doi.org/10.1002/jhrc.1240020208
. [all data]
Kepner, Ellison, et al., 1974
Kepner, R.E.; Ellison, B.O.; Breckenridge, M.; Connolly, G.; Madden, S.C.; Muller, C.J.,
Volatile terpenes in California Bay foliage. Changes in composition during maturation,
J. Agric. Food Chem., 1974, 22, 5, 781-784, https://doi.org/10.1021/jf60195a027
. [all data]
Malingré and Maarse, 1974
Malingré, T.M.; Maarse, H.,
Composition of the essential oil of Mentha aquatica,
Phytochemistry, 1974, 13, 8, 1531-1535, https://doi.org/10.1016/0031-9422(74)80322-5
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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