Isobornyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChIKey: KGEKLUUHTZCSIP-SQLBVSGCSA-N
- CAS Registry Number: 125-12-2
- 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. - Stereoisomers:
- Other names: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-; Isoborneol, acetate; Acetic acid, isobornyl ester; Pichtosin; Pichtosine; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-; exo-Bornyl acetate; 2-Bornyl acetate, exo-; exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate; 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate; 17283-45-3; endo-Bornyl acetate; (+)-Bornyl acetate = Isobornyl acetate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz 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 | HP-5 | DB-5 | HP-5 | SPB-1 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 60. | 50. | 50. |
Tend (C) | 250. | 240. | 220. | 250. | 250. |
Heat rate (K/min) | 5. | 3. | 5. | 5. | 5. |
Initial hold (min) | 1. | 10. | 3. | 3. | |
Final hold (min) | 10. | 15. | 15. | ||
I | 1287. | 1287. | 1286. | 1268. | 1290. |
Reference | Benzo, Gilardoni, et al., 2007 | Flamini, Cioni, et al., 2007 | Flamini, Tebano, et al., 2007 | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, 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 | DB-1 | HP-5 | HP-5MS | HP-5MS |
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) | 60. | 50. | 60. | 60. | 60. |
Tend (C) | 260. | 220. | 250. | 280. | 280. |
Heat rate (K/min) | 3. | 4. | 10. | 3. | 4. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 10. | ||||
I | 1283. | 1278. | 1294. | 1262. | 1284. |
Reference | Javidnia K., Miri R., et al., 2006 | Kuiate, Bessière, et al., 2006 | Liu J.M., Nan P., et al., 2006 | Pavlovic, Kovacevic, et al., 2006 | Saroglou, Dorizas, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | 5 % Phenyl methyl siloxane | HP-5 | HP-5MS |
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 | 1. | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 40. | 60. | 80. |
Tend (C) | 250. | 220. | 250. | 260. | 290. |
Heat rate (K/min) | 5. | 5. | 7. | 3. | 2. |
Initial hold (min) | 2. | 10. | 10. | ||
Final hold (min) | 5. | ||||
I | 1286. | 1286. | 1265. | 1285. | 1285.6 |
Reference | Su, Ho, et al., 2006 | Cioni, Flamini, et al., 2005 | Estevez, Ventanas, et al., 2005 | Javidnia, Miri, et al., 2005 | Zhao, Liang, 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 | HP-5MS | HP-5 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | N2 | |
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) | 80. | 80. | 60. | 60. | 60. |
Tend (C) | 290. | 290. | 220. | 240. | 240. |
Heat rate (K/min) | 4. | 6. | 5. | 3. | 3. |
Initial hold (min) | 10. | ||||
Final hold (min) | |||||
I | 1288. | 1289.3 | 1286. | 1286. | 1286. |
Reference | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Ceccarini, Macchia, et al., 2004 | Flamini, Bader, et al., 2004 | Flamini, Cioni, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | HP-5MS | DB-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | N2 | |
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. | 60. | 60. | 60. | 60. |
Tend (C) | 265. | 280. | 240. | 220. | 220. |
Heat rate (K/min) | 2.5 | 3. | 3. | 5. | 5. |
Initial hold (min) | 10. | 10. | |||
Final hold (min) | |||||
I | 1261. | 1267. | 1287. | 1286. | 1286. |
Reference | Ramezani, Behravan, et al., 2004 | Tzakou, Vagias, et al., 2004 | Bader, Flamini, et al., 2003 | Flamini, Luigi Cioni, et al., 2003 | Flamini, Luigi Cioni, et al., 2003, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | RTX-5 MS | HP-5MS | HP-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) | 60. | 60. | 45. | 50. | 60. |
Tend (C) | 240. | 220. | 180. | 250. | 380. |
Heat rate (K/min) | 3. | 5. | 2.5 | 5. | 3. |
Initial hold (min) | 10. | 10. | 2. | ||
Final hold (min) | 5. | ||||
I | 1286. | 1286. | 1286. | 1282. | 1284. |
Reference | Macchioni, Cioni, et al., 2003 | Flamini, Cioni, et al., 2002 | Hudaib, Speroni, et al., 2002 | Shang, Hu, et al., 2002 | Couladis, Tsortanidou, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 MS | HP-5 | SE-30 | DB-1 | Methyl Silicone |
Column length (m) | 30. | 50. | 50. | 60. | 25. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 1.05 | 1. | 0.3 | |
Tstart (C) | 70. | 50. | 50. | -50. | 40. |
Tend (C) | 210. | 290. | 250. | 175. | 200. |
Heat rate (K/min) | 4. | 2. | 6. | 6. | 2. |
Initial hold (min) | 10. | 2. | |||
Final hold (min) | 10. | ||||
I | 1289. | 1302. | 1286. | 1282.7 | 1278. |
Reference | Hudaib, Grazia Bellardi, et al., 2001 | David, Scanlan, et al., 2000 | Paramonov, Khalilova, et al., 2000 | Helmig, Klinger, et al., 1999 | Píry, Príbela, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 60. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 0.5 |
Tstart (C) | 40. |
Tend (C) | 290. |
Heat rate (K/min) | 4. |
Initial hold (min) | 2. |
Final hold (min) | 5. |
I | 1268. |
Reference | Bartley and Foley, 1994 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Benzo, Gilardoni, et al., 2007
Benzo, M.; Gilardoni, G.; Gandini, C.; Caccialanza, G.; Finzi, P.V.; Vidari, G.; Abdo, S.; Layedra, P.,
Determination of the threshold odor concentration of main odorants in essential oils using gas chromatography-olfactometry incremental dilution technique,
J. Chromatogr. A, 2007, 1150, 1-2, 131-135, https://doi.org/10.1016/j.chroma.2007.02.031
. [all data]
Flamini, Cioni, et al., 2007
Flamini, G.; Cioni, P.L.; Morelli, I.; Bader, A.,
Essential oils of the aerial parts of three Salvia species from Jordan: Salvia lanigera, S. spinosa and S. syriaca,
Food Chem., 2007, 100, 2, 732-735, https://doi.org/10.1016/j.foodchem.2005.10.032
. [all data]
Flamini, Tebano, et al., 2007
Flamini, G.; Tebano, M.; Cioni, P.L.; Ceccarini, L.; Ricci, A.S.; Longo, I.,
Comparison between the conventional method of extraction of essential oil of Laurus nobilis L. and a novel method which uses microwaves applied in situ, without resorting to an oven,
J. Chromatogr. A, 2007, 1143, 1-2, 36-40, https://doi.org/10.1016/j.chroma.2007.01.031
. [all data]
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [all data]
Javidnia K., Miri R., et al., 2006
Javidnia K.; Miri R.; Javidnia A.,
Constituents of the essential oil of Scabiosa flavida from Iran,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 529-530, https://doi.org/10.1007/s10600-006-0206-3
. [all data]
Kuiate, Bessière, et al., 2006
Kuiate, J.R.; Bessière, J.M.; Vilarem, G.; Amvam Zollo, P.H.,
Chemical composition and antidermatophytic properties of the essential oils from leaves, flowers and fruits of Cupressus lusitanica Mill. from Cameroon,
Flavour Fragr. J., 2006, 21, 4, 693-697, https://doi.org/10.1002/ffj.1686
. [all data]
Liu J.M., Nan P., et al., 2006
Liu J.M.; Nan P.; Tsering Q.; Tsering T.; Bai Z.K.; Wang L.; Liu Z.J.; Zhong Y.,
Volatile constituents of the leaves and flowers of Salvia przewalskii Maxim. from Tibet,
Flavour Fragr. J., 2006, 21, 3, 435-438, https://doi.org/10.1002/ffj.1607
. [all data]
Pavlovic, Kovacevic, et al., 2006
Pavlovic, M.; Kovacevic, N.; Tzakou, O.; Couladis, M.,
Essential oil composition of Anthemis triumfetti (L.) DC.,
Flavour Fragr. J., 2006, 21, 2, 297-299, https://doi.org/10.1002/ffj.1592
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T.,
Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts,
Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]
Cioni, Flamini, et al., 2005
Cioni, P.L.; Flamini, G.; Caponi, C.; Ceccarini, L.; Morelli, I.,
Analysis of volatile fraction, fixed oil and tegumental waxes of the seeds of two different cultivars of Helianthus annuus,
Food Chem., 2005, 90, 4, 713-717, https://doi.org/10.1016/j.foodchem.2004.04.031
. [all data]
Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R.,
Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters,
J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q
. [all data]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Kamalinejad, M.; Edraki, N.,
Chemical composition of Ferula persica Wild. essential oil from Iran,
Flavour Fragr. J., 2005, 20, 6, 605-606, https://doi.org/10.1002/ffj.1496
. [all data]
Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N.,
Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils,
J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067
. [all data]
Ceccarini, Macchia, et al., 2004
Ceccarini, L.; Macchia, M.; Flamini, G.; Cioni, P.L.; Caponi, C.; Morelli, I.,
Essential oil composition of Helianthus annuus L. leaves and heads of two cultivated hybride Carlos and Florom 350,
Ind. Crops Prod., 2004, 19, 1, 13-17, https://doi.org/10.1016/S0926-6690(03)00076-1
. [all data]
Flamini, Bader, et al., 2004
Flamini, G.; Bader, A.; Cioni, P.L.; Katbeh-Bader, A.; Morelli, I.,
Composition of the essential oil of leaves, galls, and ripe and unripe fruits of Jordian Pistacia palaestina Boiss.,
J. Agric. Food Chem., 2004, 52, 3, 572-576, https://doi.org/10.1021/jf034773t
. [all data]
Flamini, Cioni, et al., 2004
Flamini, G.; Cioni, P.L.; Morelli, I.; Maccioni, S.; Baldini, R.,
Phytochemical typologies in some populations of Myrtus communis L. on Caprione Promontory (East Liguria, Italy),
Food Chem., 2004, 85, 4, 599-604, https://doi.org/10.1016/j.foodchem.2003.08.005
. [all data]
Ramezani, Behravan, et al., 2004
Ramezani, M.; Behravan, J.; Yazdinezhad, A.,
Chemical composition and antimicrobial activity of the volatile oil of Artemisia khorassanica from Iran,
Pharm. Biol., 2004, 42, 8, 599-602, https://doi.org/10.1080/13880200490902482
. [all data]
Tzakou, Vagias, et al., 2004
Tzakou, O.; Vagias, C.; Gani, A.; Yannitsaros, A.,
Volatile constituents of essential oils isolated at different growth stages from three Conyza species growing in Greece,
Flavour Fragr. J., 2004, 19, 425-428. [all data]
Bader, Flamini, et al., 2003
Bader, A.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oil composition of Achillea santolina L. and Achillea biebersteinii Afan. collected in Jordan,
Flavour Fragr. J., 2003, 18, 1, 36-38, https://doi.org/10.1002/ffj.1147
. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves,
J. Agric. Food Chem., 2003, 51, 8, 2267-2271, https://doi.org/10.1021/jf021050l
. [all data]
Flamini, Luigi Cioni, et al., 2003, 2
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Variability of the essential oil of Viola etrusca,
Ann. Bot. Rome, 2003, 91, 4, 493-497, https://doi.org/10.1093/aob/mcg039
. [all data]
Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M.,
Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy,
Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178
. [all data]
Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I.,
Differences in the fragrances of pollen and different floral parts of male and female flowers of Laurus nobilis,
J. Agric. Food Chem., 2002, 50, 16, 4647-4652, https://doi.org/10.1021/jf020269x
. [all data]
Hudaib, Speroni, et al., 2002
Hudaib, M.; Speroni, E.; di Pietra, A.M.; Cavrini, V.,
GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle,
J. Pharm. Biomed. Anal., 2002, 29, 4, 691-700, https://doi.org/10.1016/S0731-7085(02)00119-X
. [all data]
Shang, Hu, et al., 2002
Shang, C.; Hu, Y.; Deng, C.; Hu, K.,
Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography-mass spectrometry with solid-phase microextraction,
J. Chromatogr. A, 2002, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6
. [all data]
Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C.,
Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954
. [all data]
Hudaib, Grazia Bellardi, et al., 2001
Hudaib, M.; Grazia Bellardi, M.; Rubies-Autonell, C.; Fiori, J.; Cavrini, V.,
Chromatographic (GC-MS, HPLC) and virological evaluations of Salvia sclarea infected by BBWV-I,
Farmaco, 2001, 56, 3, 219-227, https://doi.org/10.1016/S0014-827X(01)01038-2
. [all data]
David, Scanlan, et al., 2000
David, F.; Scanlan, F.; Sandra, P.,
Retention time locking in flavor analysis, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]
Paramonov, Khalilova, et al., 2000
Paramonov, E.A.; Khalilova, A.Z.; Odinokov, V.N.; Khalilov, L.M.,
Identification and biological activity of volatile organic compounds isolated from plants and insects. III. Chromatography-mass spectrometry of volatile compoundsof Aegopodium podagraria,
Chem. Nat. Compd. (Engl. Transl.), 2000, 36, 6, 584-586, https://doi.org/10.1023/A:1017563708858
. [all data]
Helmig, Klinger, et al., 1999
Helmig, D.; Klinger, L.F.; Guenther, A.; Vierling, L.; Geron, C.; Zimmerman, P.,
Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S.,
Chemosphere, 1999, 38, 9, 2163-2187, https://doi.org/10.1016/S0045-6535(98)00425-1
. [all data]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
. [all data]
Bartley and Foley, 1994
Bartley, J.P.; Foley, P.,
Supercritical fluid extraction of Australian-grown ginger (Zingiber officinale),
J. Sci. Food Agric., 1994, 66, 3, 365-371, https://doi.org/10.1002/jsfa.2740660314
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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.