3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChIKey: NQFUSWIGRKFAHK-UHFFFAOYSA-N
- CAS Registry Number: 1686-14-2
- 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: 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane; Pinane, 2,3-epoxy-; α-Pinene epoxide; α-Pinene oxide; 2,3-Epoxypinane; α-Pinene 2,3-oxide; Pinene oxide; α-Pinene epoxide (Isomer 2); α-Pinene epoxide (Isomer 1); α-Pinene oxyde; 3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl-
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- Other data available:
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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 | SE-54 | DB-5 MS | DB-1 | DB-5 | HP-5MS |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Helium | Helium | He | Hydrogen | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 95. | 50. | 60. |
Tend (C) | 260. | 250. | 240. | 250. | 243. |
Heat rate (K/min) | 2. | 4. | 4. | 4. | 3. |
Initial hold (min) | 5. | 2. | |||
Final hold (min) | 999. | 2. | |||
I | 1093. | 1078. | 1086. | 1090. | 1105. |
Reference | Dayisoylu and Alma, 2009 | Su, Wang, et al., 2009 | Pala-Paul, Brophy, et al., 2007 | Pontes, de Olivera, et al., 2007 | Sabulal, Dan, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5 | DB-5 | HP-5MS | BPX-5 |
Column length (m) | 50. | 30. | 30. | 25. | |
Carrier gas | He | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.3 | 0.25 | 0.2 | 0.22 | |
Phase thickness (μm) | 0.25 | 0.25 | 1. | ||
Tstart (C) | 50. | 60. | 35. | 60. | 60. |
Tend (C) | 250. | 240. | 280. | 280. | 250. |
Heat rate (K/min) | 5. | 2. | 4. | 3. | 3. |
Initial hold (min) | 3. | 2. | 5. | ||
Final hold (min) | 15. | 10. | |||
I | 1095. | 1099. | 1100. | 1099. | 1105. |
Reference | Stojanovic, Palic, et al., 2006 | Chagonda and Chalchat, 2005 | Kowalski, 2005 | Petrakis, Roussis, et al., 2005 | Vilaseca, Guy, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5MS | SPB-5 | DB-5MS | OV-101 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.31 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 50. | 80. | 40. | 0. |
Tend (C) | 275. | 280. | 220. | 280. | 225. |
Heat rate (K/min) | 4. | 15. | 20. | 4. | 3. |
Initial hold (min) | 2. | 5. | 1. | ||
Final hold (min) | 10. | 5. | |||
I | 1094. | 1091. | 1100. | 1106. | 1100. |
Reference | Ghannadi, Aghazari, et al., 2003 | Damon, Hernández, et al., 2002 | Fontanille, le Flèche, et al., 2002 | Phutdhawong, Korth, et al., 2002 | del Rosario, de Lumen, et al., 1984 |
Comment | MSDC-RI | 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.
Dayisoylu and Alma, 2009
Dayisoylu, K.S.; Alma, M.H.,
Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica),
Afr. J. Biotechnol., 2009, 8, 15, 3502-3505. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Sabulal, Dan, et al., 2006
Sabulal, B.; Dan, M.; Pradeep, N.S.; Valsamma, R.K.; George, V.,
Composition and antimicrobial activity of essential oil from the fruits of Amomum cannicarpum,
Acta Pharm. Sin., 2006, 56, 473-480. [all data]
Stojanovic, Palic, et al., 2006
Stojanovic, G.; Palic, I.; Ursic-Jankovic, J.,
Composition and antimicrobial activity of the essential oil of Micromeria cristata and Micromeria juliana,
Flavour Fragr. J., 2006, 21, 1, 77-79, https://doi.org/10.1002/ffj.1507
. [all data]
Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe,
Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402
. [all data]
Kowalski, 2005
Kowalski, R.,
Analysis of lipophylic fraction from leaves, inflorescences and rhizomes of Siphium perfoliatum L.,
Acta Soc. Botanicorum Poloniae, 2005, 74, 1, 5-10, https://doi.org/10.5586/asbp.2005.001
. [all data]
Petrakis, Roussis, et al., 2005
Petrakis, P.V.; Roussis, V.; Papadimitriou, D.; Vagias, C.; Tsitsimpikou, C.,
The effect of terpenoid extracts from 15 pine species on the feeding behavioural sequence of the late instars of the pine processionary caterpillar Thaumetopoea pityocampa,
Behav. Processes, 2005, 69, 3, 303-322, https://doi.org/10.1016/j.beproc.2004.12.008
. [all data]
Vilaseca, Guy, et al., 2004
Vilaseca, A.; Guy, I.; Charles, B.; Guinaudeau, H.; de Arias, A.R.; Fournet, A.,
Chemical composition and insecticidal activity of Hedeoma mandoniana essential oils,
J. Essent. Oil Res., 2004, 16, 4, 380-383, https://doi.org/10.1080/10412905.2004.9698749
. [all data]
Ghannadi, Aghazari, et al., 2003
Ghannadi, A.; Aghazari, F.; Mehrabani, M.; Mohagheghzadeh, A.; Mehregan, I.,
Quantity and composition of the SDE prepared essential oil of Nepeta macrosiphon Boiss,
Iran. J. Pharm. Res., 2003, 2, 103-105. [all data]
Damon, Hernández, et al., 2002
Damon, A.A.; Hernández, A.S.; Rojas, J.C.,
Analysis of the fragrance produced by the epiphytic orchid Anathallis (Pleurothallis) racemiflora (orchidaceae) in the Soconusco region, Chiapas, Mexico,
Lindleyana, 2002, 17, 2, 93-97. [all data]
Fontanille, le Flèche, et al., 2002
Fontanille, P.; le Flèche, A.; Larroche, C.,
Pseudomonas rhodesiae PF1: a new and efficient biocatalyst for production of isonovalal from α-pinene oxide,
Biocatal. Biotransform., 2002, 20, 6, 413-421, https://doi.org/10.1080/1024242021000058702
. [all data]
Phutdhawong, Korth, et al., 2002
Phutdhawong, W.; Korth, J.; Buddhasukh, D.; Pyne, S.G.,
Volatile components from Cephalotaxus griffithii growing in northern Thailand,
Flavour Fragr. J., 2002, 17, 2, 153-155, https://doi.org/10.1002/ffj.1064
. [all data]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [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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