1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aα,4aα,7β,7aβ,7bα)]-
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10?,11?,12?,13?,15-/m1/s1
- IUPAC Standard InChIKey: FRMCCTDTYSRUBE-OUZJWQAESA-N
- CAS Registry Number: 6750-60-3
- 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: (1aR,4aR,7S,7aR,7bR)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol; Spathulenol; 1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol-, (1aR-(1aα,4aα,7β,7aβ,7bα))-; (+)-Spathulenol; Espatulenol; Spatulenol
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Kovats' RI, 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 | Stabilwax | DB-Wax | Carbowax 20M | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | N2 | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | ||
| Phase thickness (μm) | 1. | 0.25 | 0.2 | ||
| Tstart (C) | 50. | 40. | 60. | 40. | 40. |
| Tend (C) | 220. | 240. | 260. | 210. | 210. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 3. | 2. | 2. | ||
| Final hold (min) | 15. | 40. | 120. | 120. | |
| I | 2154. | 2088. | 2153. | 2110. | 2110. |
| Reference | Hazzit, Baaliouamer, et al., 2006 | Nébié, Yaméogo, et al., 2004 | Vera and Chane-Ming, 1999 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | BP-20 |
| Column length (m) | 30. | 60. | 25. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.332 | |
| Phase thickness (μm) | |||
| Tstart (C) | 40. | 35. | 70. |
| Tend (C) | 210. | 200. | 200. |
| Heat rate (K/min) | 2. | 3. | 4. |
| Initial hold (min) | 2. | 5. | 2. |
| Final hold (min) | 120. | 20. | |
| I | 2120. | 2121. | 2118. |
| Reference | Loayza, Abujder, et al., 1995 | Wong and Tie, 1993 | Wyllie, Cook, et al., 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Nébié, Yaméogo, et al., 2004
Nébié, R.H.C.; Yaméogo, R.T.; Bélanger, A.; Sib, F.S.,
Composition chimique des huiles essentielles d'Ageratum conyzoïdes du Burkina Faso,
C.R. Chim., 2004, 7, 10-11, 1019-1022, https://doi.org/10.1016/j.crci.2003.12.027
. [all data]
Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Wyllie, Cook, et al., 1987
Wyllie, S.G.; Cook, D.; Brophy, J.J.; Richter, K.M.,
Volatile flavor components of Annona atemoya (custard apple),
J. Agric. Food Chem., 1987, 35, 5, 768-770, https://doi.org/10.1021/jf00077a029
. [all data]
Notes
Go To: Top, Kovats' RI, 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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