Isobornyl formate

• Formula: C₁₁H₁₈O₂
• Molecular weight: 182.2594
• IUPAC Standard InChI: InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: RDWUNORUTVEHJF-UHFFFAOYSA-N Copy
• CAS Registry Number: 1200-67-5
• 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:
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo-
• Other names: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-; 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, exo-; Isoborneol, formate; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-; exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl formate
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
• Options:
  • Switch to SI units

IR Spectrum

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

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Gas Chromatography

Go To: Top, IR Spectrum, 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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Normal alkane RI, polar column, temperature ramp

View large format table.

Normal alkane RI, polar column, custom temperature program

View large format table.

References

Go To: Top, IR Spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C., Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark, J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002 . [all data]

Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Banani, A., Volatile oil constituents of Haplophyllum tuberculatum (Forssk.) A. Juss. (Rutaceae) from Iran, J. Essent. Oil Res., 2006, 18, 4, 355-356, https://doi.org/10.1080/10412905.2006.9699111 . [all data]

Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G., Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography, J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2 . [all data]

Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X., QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression, Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379 . [all data]

Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I., Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods, Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015 . [all data]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [all data]

Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A., Effect of habitat on essential oil of Achillea filipendula L. in Iran, Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781 . [all data]

Biondi, Sari, et al., 2006
Biondi, D.M.; Sari, M.i.; Ghani, Z.A.l.; Ruberto, G., Essential oil of Algerian Saccocalyx satureioides Coss. et Durieu, Flavour Fragr. J., 2006, 21, 3, 546-548, https://doi.org/10.1002/ffj.1661 . [all data]

Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R., Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro, Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y . [all data]

Tzakou and Constantinidis, 2005
Tzakou, O.; Constantinidis, T., Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus, Biochem. Syst. Ecol., 2005, 33, 11, 1131-1140, https://doi.org/10.1016/j.bse.2005.03.008 . [all data]

Woerdenbag, Windono, et al., 2004
Woerdenbag, H.J.; Windono, T.; Bos, R.; Riswan, S.; Quax, W.J., Composition of the essential oils of Kaempferia rotunda L. and Kaempferia angustifolia Roscoe rhizomes from Indonesia, Flavour Fragr. J., 2004, 19, 2, 145-148, https://doi.org/10.1002/ffj.1284 . [all data]

Priestap, van Baren, et al., 2003
Priestap, H.A.; van Baren, C.M.; Lira, P.D.L.; Coussio, J.D.; Bandoni, A.L., Volatile constituents of Aristolochia argentina, Phytochemistry, 2003, 63, 2, 221-225, https://doi.org/10.1016/S0031-9422(02)00751-3 . [all data]

Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O., Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb., Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8 . [all data]

Priestap, van Baren, et al., 2002
Priestap, H.A.; van Baren, C.M.; Lira, P.D.L.; Prado, H.J.; Neugebauer, M.; Mayer, R.; Bandoni, A.L., Essential oils from aerial parts of Aristolochia gibertii Hook., Flavour Fragr. J., 2002, 17, 1, 69-71, https://doi.org/10.1002/ffj.1044 . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Salamci, Kordali, et al., 2007
Salamci, E.; Kordali, S.; Kotan, R.; Cakir, A.; Kaya, Y., Chemical compositions, antimicrobial and herbicidal effects of essential oils isolated from Turkish Tanacetum aucheranum and Tanacetum chiliophyllum var. chiliophyllum, Biochem. Syst. Ecol., 2007, 35, 9, 569-581, https://doi.org/10.1016/j.bse.2007.03.012 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Notes

Go To: Top, IR Spectrum, Gas Chromatography, References

• 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.