(1S,2R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3
- IUPAC Standard InChIKey: IRDFGGRWKUKANK-UHFFFAOYSA-N
- CAS Registry Number: 58319-05-4
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Bicyclo[3.1.0]hexan-2-ol, 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methyl-, (1S,2R,5R)-; Bicyclo[3.1.0]hexan-2-ol, 5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-, (1S,2R,5R)-; cis-Sesquisabinene hydrate; (Z)-β-Sesquisabinene hydrate; (Z)-sesquisabinenehydrate; cis-Sesquisabinenhydrate; Sesquisabinene hydrate (cis)
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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 | DB-5 | HP-5MS | BP-1 | HP-5MS | RTX-1 |
| Column length (m) | 50. | 30. | 50. | 30. | 60. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.22 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 280. | 220. | 280. | 230. |
| Heat rate (K/min) | 5. | 4. | 2. | 3. | 2. |
| Initial hold (min) | 3. | 5. | |||
| Final hold (min) | 5. | 20. | 45. | ||
| I | 1545. | 1590. | 1567. | 1525. | 1565. |
| Reference | Masoudi, Esmaeili, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Gonny, Bradesi, et al., 2004 | Tzakou, Vagias, et al., 2004 | Cavalli, Tomi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | RTX-5 | CP Sil 5 CB |
| Column length (m) | 30. | 25. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 45. | 60. |
| Tend (C) | 300. | 260. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | 6. | |
| Final hold (min) | 10. | |
| I | 1536. | 1560. |
| Reference | Mondello, Zappia, et al., 2002 | Weyerstahl, Marschall, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Masoudi, Esmaeili, et al., 2006
Masoudi, S.; Esmaeili, A.; Khalilzadeh, M.A.; Rustaiyan, A.; Moazami, N.; Akhgar, M.R.; Varavipoor, M.,
Volatile constituents of Dorema aucheri Boiss., Seseli libanotis (L.) W. D. Koch var. armeniacum bordz. and Conium maculatum L. three Umbelliferae herbs growing wild in Iran,
Flavour Fragr. J., 2006, 21, 5, 801-804, https://doi.org/10.1002/ffj.1722
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J.,
Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy,
Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330
. [all data]
Tzakou, Vagias, et al., 2004
Tzakou, O.; Vagias, C.; Gani, A.; Yannitsaros, A.,
Volatile constituents of essential oils isolated at different growth stages from three Conyza species growing in Greece,
Flavour Fragr. J., 2004, 19, 425-428. [all data]
Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263
. [all data]
Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G.,
Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type,
Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F.,
Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran,
Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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