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
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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 | 5 % Phenyl polydimethyl siloxane | DB-5 | ZB-1 MS | HP-5MS | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) | 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C | 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
I | 1286. | 1285. | 1277. | 1270. | 1304. |
Reference | Chaverri, Diaz, et al., 2011 | Nezhadali and Parsa, 2010 | Bajpai, Al-Reza, et al., 2009 | Ning, Zheng, et al., 2008 | Jordan, Martinez, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | BPX-5 | HP-5 | HP-5 | HP-5 |
Column length (m) | 50. | 30. | 30. | 30. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | 60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min) | not specified | 65C(1min) => 1C/min => 75C (2min) => 0.5C/min => 81C(2min) => 3C/min => 180C(7min) | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
I | 1286. | 1285. | 1275. | 1288. | 1304. |
Reference | Judzentiene and Buzelyte, 2006 | Judzentiene and Mockute, 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Singh, Maurya, et al., 2005 | Sotomayor, Martínez, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-30 | CP Sil 8 CB | HP-5 | HP-5 MS |
Column length (m) | 50. | 50. | 30. | ||
Carrier gas | He | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
Phase thickness (μm) | 0.25 | 1.05 | 0.25 | ||
Program | not specified | not specified | 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min) | not specified | not specified |
I | 1285. | 1273. | 1285. | 1301.7 | 1279. |
Reference | Vilaseca, Guy, et al., 2004 | Vinogradov, 2004 | Mockute and Judzentiene, 2003 | David, Scanlan, et al., 2002 | Shang, Hu, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Methyl Silicone | 5 % Phenyl methyl siloxane | OV-101 |
Column length (m) | |||
Carrier gas | |||
Substrate | |||
Column diameter (mm) | |||
Phase thickness (μm) | |||
Program | not specified | not specified | not specified |
I | 1273. | 1278. | 1279. |
Reference | Zenkevich, 1999 | Sagrero-Nieves and Bartley, 1995 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F.,
Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines,
J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018
. [all data]
Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M.,
Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS,
Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56
. [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
. [all data]
Ning, Zheng, et al., 2008
Ning, H.; Zheng, F.; Sun, B.; Xie, J.; Liu, Y.,
Solvent-free microwave extraction of essential oil from Zanthoxylum bungeanum Maxim.,
Food Environ. Ind. (Chinese), 2008, 34, 5, 179-184. [all data]
Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A.,
Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition,
Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011
. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
Chemija, 2006, 17, 1, 12-15. [all data]
Judzentiene and Mockute, 2005
Judzentiene, A.; Mockute, D.,
The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania,
Biochem. Syst. Ecol., 2005, 33, 5, 487-498, https://doi.org/10.1016/j.bse.2004.11.003
. [all data]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Singh, Maurya, et al., 2005
Singh, G.; Maurya, S.; Catalan, C.; de Lampasona, M.P.,
Studies on essential oils, Part 42: chemical, antifungal, antioxidant and sprout suppressant studies on ginger essential oil and its oleoresin,
Flavour Fragr. J., 2005, 20, 1, 1-6, https://doi.org/10.1002/ffj.1373
. [all data]
Sotomayor, Martínez, et al., 2004
Sotomayor, J.A.; Martínez, R.M.; García, A.J.; Jordán, M.J.,
Thymus zygis Subsp. Gracilis: watering level effect on phytomass production and essential oil quality,
J. Agric. Food Chem., 2004, 52, 17, 5418-5424, https://doi.org/10.1021/jf0496245
. [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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A.,
The myrtenol chemotype of essential oil of Tanacetum vulgare L. var. vulgare (tansy) growing wild in the Vilnius region,
Chemija, 2003, 14, 2, 103-107. [all data]
David, Scanlan, et al., 2002
David, F.; Scanlan, F.; Sandra, P.; Szelewski, M.,
Analysis of essential oil compounds using retention time locked methods and retention time databases, 2002, retrieved from http://www.chem.agilent.com. [all data]
Shang, Hu, et al., 2001
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, 2001, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6
. [all data]
Zenkevich, 1999
Zenkevich, I.G.,
Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols,
Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]
Sagrero-Nieves and Bartley, 1995
Sagrero-Nieves, L.; Bartley, J.P.,
Volatile Constituents from the Leaves of Chenopodium ambrosioides L.,
J. Essent. Oil Res., 1995, 7, 2, 221-223, https://doi.org/10.1080/10412905.1995.9698506
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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