Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: LTTVJAQLCIHAFV-UHFFFAOYSA-N
- CAS Registry Number: 24545-81-1
- 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: 3-Thujen-2-one; Umbellulon; Umbellulone; THUJEN-2-ONE; 1-Isopropyl-4-methylbicyclo[3.1.0]hex-3-en-2-one; 3-Thujene-2-one; Thuj-3-en-2-one; NSC 22046; 73175-75-4; Umbellunone
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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 | DB-5 | HP-5 | DB-5 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | N2 | Helium | H2 | Helium |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.25 | 0.26 | 0.2 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Tstart (C) | 60. | 50. | 60. | 60. | 60. |
Tend (C) | 240. | 240. | 290. | 240. | 290. |
Heat rate (K/min) | 3. | 5. | 3. | 3. | 3. |
Initial hold (min) | 1. | ||||
Final hold (min) | 4. | ||||
I | 1171. | 1168. | 1171. | 1177. | 1171. |
Reference | Bos, Woerdenbag, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Elfami, Bos, et al., 2007 | Oliveira, Leitão, et al., 2007 | Elfami, Komar, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-1 | CP Sil 8 CB | DB-5 | HP-5 |
Column length (m) | 30. | 50. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 50. | 40. | 40. |
Tend (C) | 275. | 220. | 220. | 250. | 210. |
Heat rate (K/min) | 4. | 2. | 3. | 2. | 2. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 40. | 60. | |||
I | 1170. | 1144. | 1161. | 1144. | 1168. |
Reference | Ghannadi and Zolfaghari, 2003 | Valette, Fernandez, et al., 2003 | Juteau, Masotti, et al., 2002 | Porta, Porcedda, et al., 1999 | Collin, Deslauriers, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | HP-5 |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Tstart (C) | 40. |
Tend (C) | 210. |
Heat rate (K/min) | 2. |
Initial hold (min) | |
Final hold (min) | |
I | 1169. |
Reference | Collin, Deslauriers, et al., 1993 |
Comment | 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.
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]
Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
. [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]
Oliveira, Leitão, et al., 2007
Oliveira, D.R.; Leitão, G.G.; Bizzo, H.R.; Lopes, D.; Alviano, D.S.; Alviano, C.S.; Leitão, S.G.,
Chemical and antimicrobial analyses of essential oil of Lippia origanoides H.B.K,
Food Chem., 2007, 101, 1, 236-240, https://doi.org/10.1016/j.foodchem.2006.01.022
. [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]
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]
Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L.,
Volatile constituents from Romanesco cauliflower,
Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8
. [all data]
Juteau, Masotti, et al., 2002
Juteau, F.; Masotti, V.; Bessière, J.-M.,
Compositional characteristics of the essential oil of Artemisia campestris var. glutinosa,
Biochem. Syst. Ecol., 2002, 30, 11, 1065-1070, https://doi.org/10.1016/S0305-1978(02)00052-2
. [all data]
Porta, Porcedda, et al., 1999
Porta, G.D.; Porcedda, S.; Marongiu, B.; Reverchon, E.,
Isolation of eucalyptus oil by supercritical fluid extraction,
Flavour Fragr. J., 1999, 14, 4, 214-218, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<214::AID-FFJ814>3.0.CO;2-H
. [all data]
Collin, Deslauriers, et al., 1993
Collin, G.J.; Deslauriers, H.; Pageau, N.; Gagnon, M.,
Essential oil of Tansy (Tanacetum vulgare L.) of Canadian origin,
J. Essent. Oil Res., 1993, 5, 6, 629-638, https://doi.org/10.1080/10412905.1993.9698296
. [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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