(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, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
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Normal alkane RI, 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, 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.

Erdurak, Coskun, et al., 2006
Erdurak, C.S.; Coskun, M.; Demirci, B.; Baser, K.H.C., Composition of the essential oil of fruits and roots of Ferulago isaurica Pesmen and F. syriaca Boiss. (Umbelliferae) from Turkey, Flavour Fragr. J., 2006, 21, 1, 118-121, https://doi.org/10.1002/ffj.1540 . [all data]

Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C., Essential oil composition of three species of Achillea from Kazakhstan, Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724 . [all data]

Demirci, Demirci, et al., 2005
Demirci, B.; Demirci, F.; Baser, K.H.C., Headspace-SPME and hydrodistillation of two fragrant Artemisia sp., Flavour Fragr. J., 2005, 20, 4, 395-398, https://doi.org/10.1002/ffj.1426 . [all data]

Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N., Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone, Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977 . [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, polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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