Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)-
- Formula: C9H14O
- Molecular weight: 138.2069
- IUPAC Standard InChI: InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3
- IUPAC Standard InChIKey: MDDYCNAAAZKNAJ-UHFFFAOYSA-N
- CAS Registry Number: 513-20-2
- 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, 5-isopropyl-; Sabina ketone; 5-Isopropylbicyclo[3.1.0]hexan-2-one; Sabine ketone
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- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | HP-5 MS | HP-5 MS | DB-5 | DB-5 | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | He | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.26 | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 70. | 60. | 60. | 60. |
| Tend (C) | 290. | 290. | 240. | 290. | 280. |
| Heat rate (K/min) | 5. | 5. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 10. | ||||
| I | 1154. | 1160. | 1156. | 1156. | 1159. |
| Reference | Lazarevic, Radulovic, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Bos, Woerdenbag, et al., 2007 | Elfami, Bos, et al., 2007 | Vagionas, Graikou, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | DB-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 25. | 30. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.249 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 60. | 40. |
| Tend (C) | 290. | 300. | 290. | 240. | 250. |
| Heat rate (K/min) | 3. | 5. | 3. | 3. | 5. |
| Initial hold (min) | 5. | 0.5 | |||
| Final hold (min) | 5. | 7. | 2. | ||
| I | 1156. | 1159. | 1156. | 1153. | 1156. |
| Reference | Elfami, Komar, et al., 2006 | Figuérédo, Cabassu, et al., 2006 | Bos, Stojanova, et al., 2005 | Duarte, Figueira, et al., 2005 | Özel, Gögüs, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | SE-54 | DB-1 | HP-5 | DB-5 |
| Column length (m) | 60. | 30. | 60. | 30. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 50. | 60. | 50. |
| Tend (C) | 250. | 260. | 250. | 275. | 220. |
| Heat rate (K/min) | 4. | 2. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | |||||
| I | 1147. | 1153. | 1147. | 1154. | 1153. |
| Reference | Rasooli and Owlia, 2005 | Kilic, Hafizoglu, et al., 2004 | Rasooli and Razzaghi Abyaneh, 2004 | Ghannadi and Zolfaghari, 2003 | Masotti, Juteau, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | HP-5 | SPB-5 |
| Column length (m) | 50. | 30. | 30. | 50. |
| Carrier gas | N2 | H2 | N2 | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 95. | 60. | 60. | 60. |
| Tend (C) | 240. | 280. | 220. | 240. |
| Heat rate (K/min) | 4. | 4. | 5. | 3. |
| Initial hold (min) | 10. | 10. | ||
| Final hold (min) | 40. | 20. | ||
| I | 1143. | 1158. | 1158. | 1187. |
| Reference | Perez-Alonso, Velasco-Negueruela, et al., 2003 | Pino, Marbot, et al., 2003 | Gallori, Flamini, et al., 2001 | Doneanu and Anitescu, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Lazarevic, Radulovic, et al., 2010
Lazarevic, J.; Radulovic, N.; Palic, R.; Zlatkovic, B.,
Chemical Analusis of volatile constituents of Berula erecta (Hudson) Coville subsp. erecta (Apiaceae) from Serbia,
J. Essential Oil. Res., 2010, 22, 3, 153-156, https://doi.org/10.1080/10412905.2010.9700290
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami,
Essential oil constituents of Piper cubeba L. fils. from Indonesia,
J. Essent. Oil Res., 2007, 19, 1, 14-17, https://doi.org/10.1080/10412905.2007.9699217
. [all data]
Elfami, Bos, et al., 2007
Elfami; Bos, R.; Ruslan, K.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]
Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I.,
Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania,
Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051
. [all data]
Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins,
Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543
. [all data]
Bos, Stojanova, et al., 2005
Bos, R.; Stojanova, A.; Woerdenbag, H.J.; Koulman, A.; Quax, W.J.,
Volatile components of the aerial parts of Artemisia pontica L. grown in Bulgaria,
Flavour Fragr. J., 2005, 20, 2, 145-148, https://doi.org/10.1002/ffj.1399
. [all data]
Duarte, Figueira, et al., 2005
Duarte, M.C.T.; Figueira, G.M.; Sartoratto, A.; Rehder, V.L.G.; Delarmelina, C.,
Anti-Candida activity of Brazilian medicinal plants,
J. Ethnopharmacol., 2005, 97, 2, 305-311, https://doi.org/10.1016/j.jep.2004.11.016
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Özel, Gögüs, et al., 2005
Özel, M.Z.; Gögüs, F.; Hamilton, J.F.; Lewis, A.C.,
Analysis of volatile components from Ziziphora taurica subsp. taurica by steam distillation, superheated-water extraction, and direct thermal desorption with GC×GC-TOFMS,
Anal. Bioanal. Chem., 2005, 382, 1, 115-119, https://doi.org/10.1007/s00216-005-3156-x
. [all data]
Rasooli and Owlia, 2005
Rasooli, I.; Owlia, P.,
Chemoprevention by thyme oils of Aspergillus parasiticus growth and aflatoxin production,
Phytochemistry, 2005, 66, 24, 2851-2856, https://doi.org/10.1016/j.phytochem.2005.09.029
. [all data]
Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S.,
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.,
J. Agric. Food Chem., 2004, 52, 6, 1601-1606, https://doi.org/10.1021/jf0306237
. [all data]
Rasooli and Razzaghi Abyaneh, 2004
Rasooli, I.; Razzaghi Abyaneh, M.,
Inhibitory effects of Thyme oils on growth and aflatoxin production by Aspergillus parasiticus,
Food Control, 2004, 15, 6, 479-483, https://doi.org/10.1016/j.foodcont.2003.07.002
. [all data]
Ghannadi and Zolfaghari, 2003
Ghannadi, A.; Zolfaghari, B.,
Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran,
Flavour Fragr. J., 2003, 18, 3, 237-239, https://doi.org/10.1002/ffj.1215
. [all data]
Masotti, Juteau, et al., 2003
Masotti, V.; Juteau, F.; Bessière, J.M.; Viano, J.,
Seasonal and phenological variations of the essential oil from the narrow endemic species Artemisia molinieri and its biological activities,
J. Agric. Food Chem., 2003, 51, 24, 7115-7121, https://doi.org/10.1021/jf034621y
. [all data]
Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0
. [all data]
Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
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Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
J. Agric. Food Chem., 2001, 49, 12, 5907-5910, https://doi.org/10.1021/jf0107656
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Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
. [all data]
Notes
Go To: Top, Normal alkane 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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