Isobornyl acetate

• Formula: C₁₂H₂₀O₂
• Molecular weight: 196.2860
• IUPAC Standard InChI: InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1 Copy

  
• IUPAC Standard InChIKey: KGEKLUUHTZCSIP-SQLBVSGCSA-N Copy
• 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
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• Stereoisomers:
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-
  • Bornyl acetate
  • Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl, acetate
• 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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• Information on this page:
  • Normal alkane RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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.

Hudaib and Aburjai, 2007
Hudaib, M.; Aburjai, T., Volatile components of Thymus vulgaris L. from wild-growing and cultivated plants in Jordan, Flavour Fragr. J., 2007, 22, 4, 322-327, https://doi.org/10.1002/ffj.1800 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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, polar column, custom temperature program, References

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