trans-Pinocarvyl acetate
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3
- IUPAC Standard InChIKey: UDBAGFUFASPUFS-UHFFFAOYSA-N
- CAS Registry Number: 1686-15-3
- 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:
- Stereoisomers:
- Other names: (1R,3S,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-yl acetate; Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3S,5R)-; trans-Pinocarveyl acetate; trans-Pinocarveol, acetate; (E)-Pinocarvyl acetate
- 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 | ZB-5 | HP-5 MS | SPB-5 | HP-5 | HP-5 MS |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | Nitrogen | Helium | Nitrogen | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.35 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 60. | 50. |
| Tend (C) | 200. | 220. | 230. | 250. | 230. |
| Heat rate (K/min) | 5. | 5. | 4. | 5. | 3. |
| Initial hold (min) | 5. | 10. | 30. | 10. | |
| Final hold (min) | 5. | 40. | 10. | ||
| I | 1299. | 1299. | 1305. | 1295. | 1297. |
| Reference | Vazquez, Demmel, et al., 2011 | Ogunwande, Flamini, et al., 2010 | Gauvin-Bialecki and Marodon, 2009 | Yassa and Akhani, 2008 | Adams, Beauchamp, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | HP-5 | HP-5MS | DB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 40. | 60. | 50. |
| Tend (C) | 250. | 250. | 260. | 230. | 250. |
| Heat rate (K/min) | 2. | 5. | 4. | 3. | 3. |
| Initial hold (min) | 30. | 3. | |||
| Final hold (min) | 15. | ||||
| I | 1293. | 1295. | 1296.3 | 1266. | 1273. |
| Reference | Raal, Orav, et al., 2007 | Yassa and Akhani, 2007 | Zizovic, Stamenic, et al., 2007 | Damjanovic, Skala, et al., 2006 | Cégiéla-Carlioz, Bessière, 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 | CP Sil 5 CB | SE-54 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. | 60. |
| Tend (C) | 265. | 200. | 260. | 240. | 240. |
| Heat rate (K/min) | 2.5 | 5. | 2. | 3. | 3. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | 30. | ||||
| I | 1273. | 1296. | 1297. | 1297. | 1297. |
| Reference | Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005 | Agnaniet, Menut, et al., 2004 | Kilic, Hafizoglu, et al., 2004 | da Silva, Luz, et al., 2003 | Tellez, Canel, et al., 1999 |
| 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.
Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I.,
Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]
Ogunwande, Flamini, et al., 2010
Ogunwande, I.A.; Flamini, G.; Cioni, P.L.; Omikorede, O.; Azeez, R.A.; Ayodele, A.A.; Kamil, Y.O.,
Aromatic plants growing in Nigeria: essential oil constituents of Cassia alata (Linn.) Roxb. and Helianthus annuus L.,
Rec. Nat. Prod., 2010, 4, 4, 211-217. [all data]
Gauvin-Bialecki and Marodon, 2009
Gauvin-Bialecki, A.; Marodon, C.,
Essential oil of Ayapana triplinervis from Reunion island: a good natural source of thymohydroquinone dimethyl ether,
Biochem. Systematics Ecol., 2009, 36, 11, 853-858, https://doi.org/10.1016/j.bse.2008.09.006
. [all data]
Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M.,
New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247
. [all data]
Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia,
Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]
Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Zizovic, Stamenic, et al., 2007
Zizovic, I.; Stamenic, M.; Ivanovic, J.; Orlovic, A.; Ristic, M.; Djordjevic, S.; Petrovic, S.D.; Skala, D.,
Supercritical carbon dioxide extraction of sesquiterpenes from valerian root,
J. Supercrit. Fluids, 2007, 43, 2, 249-258, https://doi.org/10.1016/j.supflu.2007.05.007
. [all data]
Damjanovic, Skala, et al., 2006
Damjanovic, B.; Skala, D.; Baras, J.; Petrovic-Djakov, D.,
Isolation of essential oil and supercritical carbon dioxide extract of Juniperus communis L. fruits from Montenegro,
Flavour Fragr. J., 2006, 21, 6, 875-880, https://doi.org/10.1002/ffj.1711
. [all data]
Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G.,
Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds,
Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584
. [all data]
Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005
Khalighi-Sigaroodi, F.; Hadijiakhoondi, A.; Shahverdi, A.R.; Mozaffarian, V.-A.; Shafiee, A.,
Chemical composition and antimicrobial activity of the essential oil of Ferulago Bernardii Tomk. and M.Pimen.,
DARU, 2005, 13, 3, 100-104. [all data]
Agnaniet, Menut, et al., 2004
Agnaniet, H.; Menut, C.; Bessière, J.-M.,
Aromatic plants of tropical central Africa. Part XLIX: chemical composition of essential oils of the leaf and rhizome of Aframomum giganteum K. Schum from Gabon,
Flavour Fragr. J., 2004, 19, 3, 205-209, https://doi.org/10.1002/ffj.1403
. [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]
da Silva, Luz, et al., 2003
da Silva, J.D.; Luz, A.I.R.; da Silva, M.H.L.; Andrade, E.H.A.; Soghbi, M.G.B.; Maia, J.G.S.,
Essential oils of the leaves and stems of four Psidium spp.,
Flavour Fragr. J., 2003, 18, 3, 240-243, https://doi.org/10.1002/ffj.1219
. [all data]
Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O.,
Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L,
Phytochemistry, 1999, 52, 6, 1035-1040, https://doi.org/10.1016/S0031-9422(99)00308-8
. [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
- 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.