Pinocarvone
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
- IUPAC Standard InChIKey: TZDMGBLPGZXHJI-UHFFFAOYSA-N
- CAS Registry Number: 34-41-3
- 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. - Species with the same structure:
- Other names: 2(10)-Pinen-3-one; Isopinocarvone; trans-Pinocarvone; d-Pinocarvone
- Information on this page:
- Other data available:
- Options:
Kovats' 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-5MS | DB-5 | DB-5 | HP-5MS | DB-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.26 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 60. |
| Tend (C) | 180. | 246. | 250. | 240. | |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 15. | 5. | |||
| I | 1160. | 1164. | 1165. | 1164. | 1162. |
| Reference | Angioni, Barra, et al., 2006 | Lucero, Fredrickson, et al., 2006 | Adams, Morris, et al., 2005 | Asuming, Beauchamp, et al., 2005 | Maia, Andrade, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | CP Sil 8 CB | HP-5MS | HP-5 | BP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | H2 | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.55 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 60. | 60. |
| Tend (C) | 200. | 220. | 280. | 280. | 220. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 5. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 15. | 15. | |||
| I | 1162. | 1152. | 1142. | 1161. | 1161. |
| Reference | Juliani, Zygadlo, et al., 2004 | Schwob, Bessiere, et al., 2004 | Gkinis, Tzakou, et al., 2003 | Özcan, Tzakou, et al., 2003 | Srivastava, Ahmad, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | BP-1 | PTE-5 | SSP-1 | DB-1 |
| Column length (m) | 30. | 30. | 60. | 30. | 50. |
| Carrier gas | He | N2 | H2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.39 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 50. | 80. |
| Tend (C) | 250. | 220. | 285. | 250. | 225. |
| Heat rate (K/min) | 3. | 5. | 4.3 | 2. | 4. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 13. | 5. | |||
| I | 1161. | 1133. | 1164. | 1124. | 1141. |
| Reference | Salido, Altarejos, et al., 2002 | Shawl, Srivastava, et al., 2002 | Gudzic, Dordevic, et al., 2001 | Nagarajan, Rao, et al., 2001 | Palá-Paúl, Velasco-Negueruela, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | DB-5 | DB-5 | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 246. | 240. | 246. | 246. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 5. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1163. | 1162. | 1162. | 1163. | 1142. |
| Reference | Adams, 2000 | Adams, 2000, 2 | Adams, 2000, 3 | Adams, 1999 | Kaul, Gujral, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | Methyl Silicone | BPX-5 | DB-5 | OV-101 |
| Column length (m) | 30. | 30. | 50. | 30. | 25. |
| Carrier gas | He | He | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 40. | 50. |
| Tend (C) | 240. | 250. | 185. | 250. | 200. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. | 5. |
| Initial hold (min) | 2. | 10. | 5. | ||
| Final hold (min) | 5. | 20. | |||
| I | 1160. | 1142. | 1162. | 1131. | 1154. |
| Reference | da Silva, Andrade, et al., 1999 | Adegoke, Rao, et al., 1998 | Fournier, Hadjiakhoondi, et al., 1997 | Senatore, Urrunaga Soria, et al., 1997 | Menut, Molangui, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Angioni, Barra, et al., 2006
Angioni, A.; Barra, A.; Coroneo, V.; Dessi, S.; Cabras, P.,
Chemical composition, seasonal variability, and antifungal activity of Lavandula stoechas L. ssp. stoechas essential oils from stem/leaves and flowers,
J. Agric. Food Chem., 2006, 54, 12, 4364-4370, https://doi.org/10.1021/jf0603329
. [all data]
Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B.,
Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction,
J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039
. [all data]
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Maia, Andrade, et al., 2005
Maia, J.G.S.; Andrade, E.H.A.; da Silva, A.C.M.; Oliveira, J.; Carreira, L.M.M.; Araújo, J.S.,
Leaf volatile oils from four Brazilian Xylopia species,
Flavour Fragr. J., 2005, 20, 5, 474-477, https://doi.org/10.1002/ffj.1499
. [all data]
Juliani, Zygadlo, et al., 2004
Juliani, H.R.; Zygadlo, J.A.; Scrivanti, R.; de la Sota, E.; Simon, J.E.,
The essential oil of Anemia tomentosa (Savigny) Sw. var. anthriscifolia (Schrad.) Mickel,
Flavour Fragr. J., 2004, 19, 6, 541-543, https://doi.org/10.1002/ffj.1341
. [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]
Gkinis, Tzakou, et al., 2003
Gkinis, G.; Tzakou, O.; Iliopoulou, D.; Roussis, V.,
Chemical Composition and Biological Activity of Nepeta parnassica Oils and Isolated Nepetalactones,
Z. Naturforsch. C:, 2003, 58, 681-686. [all data]
Özcan, Tzakou, et al., 2003
Özcan, M.; Tzakou, O.; Couladis, M.,
Essential oil composition of Turkish herbal tea (Salvia aucheri Bentham var. canescens Boiss. Heldr.),
Flavour Fragr. J., 2003, 18, 4, 325-327, https://doi.org/10.1002/ffj.1229
. [all data]
Srivastava, Ahmad, et al., 2003
Srivastava, S.K.; Ahmad, A.; Syamsunder, K.V.; Aggarwal, K.K.; Shanuja, S.P.S.,
Essential oil composition of Callistemon viminalis leaves from India,
Flavour Fragr. J., 2003, 18, 5, 361-363, https://doi.org/10.1002/ffj.1143
. [all data]
Salido, Altarejos, et al., 2002
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Pannecouque, C.; Witvrouw, M.; De Clercq, E.,
Chemical studies of essential oils of Juniperus oxycedrus ssp. badia,
J. Ethnopharmacol., 2002, 81, 1, 129-134, https://doi.org/10.1016/S0378-8741(02)00045-4
. [all data]
Shawl, Srivastava, et al., 2002
Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K.,
Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India,
Flavour Fragr. J., 2002, 17, 3, 165-168, https://doi.org/10.1002/ffj.1074
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Nagarajan, Rao, et al., 2001
Nagarajan, S.; Rao, L.J.M.; Gurudutt, K.N.,
Chemical composition of the volatiles of Hemidesmus indicus R. Br.,
Flavour Fragr. J., 2001, 16, 3, 212-214, https://doi.org/10.1002/ffj.985
. [all data]
Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2001, 923, 1-2, 295-298, https://doi.org/10.1016/S0021-9673(01)01003-2
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Adams, 2000, 3
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Kaul, Gujral, et al., 1999
Kaul, V.K.; Gujral, R.K.; Singh, B.,
Volatile constituents of the essential oil of flowers of Rosa brunonii Lindl,
Flavour Fragr. J., 1999, 14, 1, 9-11, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<9::AID-FFJ761>3.0.CO;2-C
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
Adegoke, Rao, et al., 1998
Adegoke, G.O.; Rao, L.J.M.; Shankaracharya, N.B.,
A comparison of the essential oils of Aframomum daniellii (Hook. f.) K. Schum. and Amomum subulatum Roxb,
Flavour Fragr. J., 1998, 13, 5, 349-352, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<349::AID-FFJ758>3.0.CO;2-O
. [all data]
Fournier, Hadjiakhoondi, et al., 1997
Fournier, G.; Hadjiakhoondi, A.; Leboeuf, M.; Cavé, A.; Charles, B.,
Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries,
Flavour Fragr. J., 1997, 12, 2, 95-98, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<95::AID-FFJ611>3.0.CO;2-Z
. [all data]
Senatore, Urrunaga Soria, et al., 1997
Senatore, F.; Urrunaga Soria, E.; Urrunaga Soria, R.; Porta, G.D.; Taddeo, R.; de Feo, V.,
Essential oil of Eremocharis triradiata (Wolff.) Johnston (Apiaceae) growing wild in Perú,
Flavour Fragr. J., 1997, 12, 4, 257-259, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<257::AID-FFJ645>3.0.CO;2-4
. [all data]
Menut, Molangui, et al., 1995
Menut, C.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B. Menut.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B.,
Aromatic plants of tropical Central Africa. 23. Chemical composition of leaf essential oils of Eucalyptus goniocalyx F. Muell. and Eucalyptus patens Benth. grown in Rwanda,
J. Agric. Food Chem., 1995, 43, 5, 1267-1271, https://doi.org/10.1021/jf00053a026
. [all data]
Notes
Go To: Top, Kovats' 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.