Verbenol
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1
- IUPAC Standard InChIKey: WONIGEXYPVIKFS-YIZRAAEISA-N
- CAS Registry Number: 473-67-6
- 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: Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-; Berbenol; 2-Pinen-4-ol; 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol; 4,6,6-Trimethyl-bicyclo[3,1,1]hept-3-en-2-ol; d-Verbenol
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | N.W. Davies, Centr. Sci. Lab., Univ. Tasmania, Hobart, Australia |
| NIST MS number | 107033 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1145. | Angioni, Barra, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 15. min, 3. K/min; Tend: 180. C |
| Capillary | CP Sil 8 CB | 1146. | Schwob, Bessiere, et al., 2004 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1128. | Paolini J., Costa J., et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1130. | García, Alvarez, et al., 2002 | 50. m/0.2 mm/0.33 μm, He; Program: 50C(2min) => 5C/min => 150C => 10C/min => 250C(30min) |
| Capillary | HP-5 | 1098. | García, Alvarez, et al., 2002 | 50. m/0.2 mm/0.33 μm, He; Program: 50C(2min) => 5C/min => 150C => 10C/min => 250C(30min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1678. | Paolini J., Costa J., et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 MS | 1121. | Seo, Kim, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 250. C @ 4. min |
| Capillary | SLB-5 MS | 1147. | Lo Presti, Sciarrone, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1140. | Bos, Woerdenbag, et al., 2007 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1140. | Elfami, Bos, et al., 2007 | 30. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C |
| Capillary | HP-5MS | 1110. | Ferhat, Tigrine-Kordjani, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | DB-1 | 1132. | Salehi, Fakhari, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | HP-5MS | 1144. | Vichi, Riu-Aumatell, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1140. | Elfami, Komar, et al., 2006 | 30. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C |
| Capillary | HP-5 MS | 1110. | Tigrine-Kordiani, Meklati, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 1148. | Oyedeji, Yani, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 70. C; Tend: 240. C |
| Capillary | HP-5MS | 1142. | Sadeghpour, Asghari, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 1123. | Rasooli and Mirmostafa, 2003 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | HP-5 | 1140. | Stashenko, Jaramillo, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; Tend: 250. C |
| Capillary | CBP-1 | 1105. | Ly, Yamauchi, et al., 2001 | 25. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 3. K/min; Tend: 210. C |
| Capillary | CP Sil 5 CB | 1134. | Rustaiyan and Nadji, 1999 | 25. m/0.25 mm/0.39 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | OV-1 | 1138. | Kökdil, Kurucu, et al., 1997 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 4. min, 2. K/min; Tend: 270. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-1 MS | 1136. | Bajpai, Al-Reza, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C |
| Capillary | ZB-1 MS | 1136. | Bajpai, Al-Reza, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C |
| Capillary | SLB-5 MS | 1145. | Lo Presti, Sciarrone, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SE-30 | 1135. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-1 | 1122. | Binder, Flath, et al., 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1665. | Seo, Kim, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 250. C @ 4. min |
| Capillary | Carbowax | 1669. | Ferhat, Tigrine-Kordjani, et al., 2007 | 60. m/0.2 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | TC-FFAP | 1685. | Kurose, Okamura, et al., 2007 | He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C |
| Capillary | Carbowax-PEG | 1669. | Tigrine-Kordiani, Meklati, et al., 2006 | 60. m/0.20 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | DB-Wax | 1680. | Buttery, Light, et al., 2000 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min, 170. C @ 30. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1686. | Seo, Kim, et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 200C (20min) |
| Capillary | FFAP | 1670. | Reddy, Angers, et al., 1998 | 25. m/0.2 mm/0.33 μm, H2; Program: 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Angioni, Barra, et al., 2004
Angioni, A.; Barra, A.; Cereti, E.; Barile, D.; Coïsson, J.D.; Arlorio, M.; Dessi, S.; Coroneo, V.; Cabras, P.,
Chemical composition, plant genetic differences, antimicrobial and antifungal activity investigation of the essential oil of Rosmarinus officinalis L.,
J. Agric. Food Chem., 2004, 52, 11, 3530-3535, https://doi.org/10.1021/jf049913t
. [all data]
Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J.,
Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle,
Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005
. [all data]
Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977
. [all data]
García, Alvarez, et al., 2002
García, D.; Alvarez, A.; Tornos, P.; Fernandez, A.; Sáenz, T.,
Gas chromatographic-mass spectrometry study of the essential oils of Pimenta racemosa var. terebinthina and P. racemosa var. grisea,
Z. Naturforsch., 2002, 57c, 449-451. [all data]
Seo, Kim, et al., 2009
Seo, S.-M.; Kim, J.; Lee, S.-G.; Shin, C.-H.; Shin, S.-C.; Park, I.-K.,
Fumigant antitermitic activity of plant essential oils and components from Aiowan (Trachyspermum ammi), Allspice (Pimenta dioica), Caraway (Carum carvi), Dill (Anethum graveolens), Geranium (Pelargonium graveolens), and Litsea (Litsea cubeba( oils against Japanese termite (Reticulitermes speratus Kolbe),
J. Agric. Food Chem., 2009, 57, 15, 6596-6602. [all data]
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [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]
Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F.,
Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device,
Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5
. [all data]
Salehi, Fakhari, et al., 2007
Salehi, P.; Fakhari, A.R.; Ebrahimi, S.N.; Heydari, R.,
Rapid essential oil screening of Rosmarinus officinalis L. by hydrodistillation-headspace solvent microextraction,
Flavour Fragr. J., 2007, 22, 4, 280-285, https://doi.org/10.1002/ffj.1793
. [all data]
Vichi, Riu-Aumatell, et al., 2007
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Guadayol, J.M.; Buxaderas, S.; López-Tamames, E.,
Analytical, Nutritional and Clinical Methods. HS-SPME coupled to GC/MS for quality control of Juniperus communis L. berries used for gin aromatization,
Food Chem., 2007, 105, 4, 1748-1754, https://doi.org/10.1016/j.foodchem.2007.03.026
. [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]
Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F.,
Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008
. [all data]
Oyedeji, Yani, et al., 2005
Oyedeji, O.A.; Yani, V.V.; Afolayan, A.J.,
Chemical composition of the essential oil from Arctotis arctotoides (L.F.) O. Hoffm. (syn. Vendium arctotoides Less.),
Flavour Fragr. J., 2005, 20, 2, 232-234, https://doi.org/10.1002/ffj.1437
. [all data]
Sadeghpour, Asghari, et al., 2004
Sadeghpour, O.; Asghari, G.; Ardekani, M.R.S.,
Composition of essential oil of Artemisia persica Boiss. from Iran,
Iran. J. Pharm. Res., 2004, 3, 65-67. [all data]
Rasooli and Mirmostafa, 2003
Rasooli, I.; Mirmostafa, S.A.,
Bacterial susceptibility to and chemical composition of essential oils from Thymus kotschyanus and Thymus persicus,
J. Agric. Food Chem., 2003, 51, 8, 2200-2205, https://doi.org/10.1021/jf0261755
. [all data]
Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [all data]
Ly, Yamauchi, et al., 2001
Ly, T.N.; Yamauchi, R.; KAto, K.,
Volatile components of the essential oils in Galanga (Alpina officinarum Hance) from Vietnam,
Food Sci. Technol. Res., 2001, 7, 4, 303-306, https://doi.org/10.3136/fstr.7.303
. [all data]
Rustaiyan and Nadji, 1999
Rustaiyan, A.; Nadji, K.,
Composition of the essential oils of Nepeta ispahanica Boiss. and Nepeta binaludensis Jamzad from Iran,
Flavour Fragr. J., 1999, 14, 1, 35-37, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<35::AID-FFJ776>3.0.CO;2-N
. [all data]
Kökdil, Kurucu, et al., 1997
Kökdil, G.; Kurucu, S.; Topcu, G.,
Chemical constituents of the essential oils of Nepeta italica L. and Nepeta sulfuriflora P. H. Davis,
Flavour Fragr. J., 1997, 12, 1, 33-35, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<33::AID-FFJ609>3.0.CO;2-V
. [all data]
Bajpai, Al-Reza, et al., 2009
Bajpai, V.K.; Al-Reza, S.M.; Choi, U.L.; Lee, J.H.; Kang, S.C.,
Chemical composition, antibacterial and antioxidant activities of leaf essential oil and extracts of Metasequioa glyptostroboides Miki ex Hu,
Food Chem. Toxicol., 2009, 47, 8, 1876-1883, https://doi.org/10.1016/j.fct.2009.04.043
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Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Buttery, Light, et al., 2000
Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N.,
Volatile components of green walnut husks,
J. Agric. Food Chem., 2000, 48, 7, 2858-2861, https://doi.org/10.1021/jf000288b
. [all data]
Seo, Kim, et al., 2007
Seo, H.-Y.; Kim, J.-H.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kwon, J.-H.; Kima, K.-S.,
Effects of gamma irradiation on the yields of volatile extracts of Angelica gigas Nakai,
Radiat. Phys. Chem., 2007, 76, 11-12, 1869-1874, https://doi.org/10.1016/j.radphyschem.2007.03.020
. [all data]
Reddy, Angers, et al., 1998
Reddy, M.V.B.; Angers, P.; Gosselin, A.; Arul, J.,
Characterization and use of essential oil from Thymus vulgaris against Botrytis cinerea and Rhizopus stolonifer in strawberry fruits,
Phytochemistry, 1998, 47, 8, 1515-1520, https://doi.org/10.1016/S0031-9422(97)00795-4
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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