(1R,5S,6R)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate

• Formula: C₁₂H₁₈O₂
• Molecular weight: 194.2701
• IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: UASZOTVHPVEMQR-UHFFFAOYSA-N Copy
• CAS Registry Number: 67999-48-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, [1S-(1α,5α,6β)]-
  • trans-Chrysanthenyl acetate
• Stereoisomers:
  • cis-Chrysanthenyl acetate
  • Chrysanthenyl acetate
• Other names: Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, 6-acetate, (1R,5S,6R)-; Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, (1α,5α,6α)-; cis-Chrysanthenol acetate; cis-Chrysanthenyl acetate; Chrysanthenyl acetate; (Z)-Chrysanthenyl acetate; Chrysanthenyl acetate (cis); cis-Crysanthenyl acetate
• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to calorie-based units

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

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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

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.

Maggi, Bilek, et al., 2009
Maggi, F.; Bilek, T.; Lucarini, D.; Papa, F.; Sagratini, G.; Vittori, S., Melittis melissophyllum L. subsp. melissophylum (Lamiaceae) from central Italy: A new source of a mushrrom-like flavour, Food Chem., 2009, 113, 1, 216-221, https://doi.org/10.1016/j.foodchem.2008.07.066 . [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]

Hashemi, Abolghasemi, et al., 2007
Hashemi, P.; Abolghasemi, M.M.; Fakhari, A.R.; Ebrahimi, S.N.; Ahmadi, S., Hydrodistillation-Solvent Microextraction and GC-MS Identification of Volatile Components of Artemisia aucheri, Chromatographia, 2007, 66, 3-4, 283-286, https://doi.org/10.1365/s10337-007-0289-4 . [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]

Albuquerque, Souza, et al., 2004
Albuquerque, M.R.J.R.; Souza, E.B.; Lins, M.U.D.S.; Nogueira, N.A.P.; Lemos, T.L.G.; Silveira, E.R.; Pessoa, O.D.L., Composition and antimicrobial activity of the essential oil from aerial parts of Baccharis trinervis (Lam.) Pers., Arkivoc, 2004, 6, 6, 59-65, https://doi.org/10.3998/ark.5550190.0005.608 . [all data]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L., Chemija, 2004, 15, 28-32. [all data]

Judpentienë and Mockutë, 2004, 2
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius, Chemija, 2004, 15, 4, 64-68. [all data]

Sahin, Gulluce, et al., 2004
Sahin, F.; Gulluce, M.; Daferera, D.; Sokmen, A.; Sokmen, M.; Polissiou, M.; Agar, G.; Ozer, H., Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey, Food Control, 2004, 15, 7, 549-557, https://doi.org/10.1016/j.foodcont.2003.08.009 . [all data]

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

Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Schröder, M.; Wahlburg, H.-C.; Kaul, V.K., The sesquiterpene fraction of the essential oil of Artemisia laciniata Willd., Flavour Fragr. J., 1997, 12, 5, 315-325, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<315::AID-FFJ662>3.0.CO;2-Q . [all data]

Weyerstahl, Marschall, et al., 1997, 2
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A., Constituents of the essential oil of Achillea eriophora DC, Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E . [all data]

Vernin and Merad, 1994
Vernin, G.; Merad, L.O., Mass Spectra and Kovats Indices of Some New cis-Chrysanthenyl Esters Found in the Essential Oil of Artemisia herba alba from Algeria, J. Essent. Oil Res., 1994, 6, 4, 437-448, https://doi.org/10.1080/10412905.1994.9698419 . [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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