Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-

• Formula: C₁₀H₁₆O
• Molecular weight: 152.2334
• IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: MQPHVIPKLRXGDJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 18358-53-7
• 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.
• Species with the same structure:
  • Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2β,5α)-
  • Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2α,5α)-
• Stereoisomers:
  • [1S-(1α,2β,5α)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
  • Isopinocamphone
  • (E)-Pinanone
  • pinocamphone isomer (T)
  • S-pinocamphone
  • (Z)-Pinocamphone
  • cis-Pinocamphone
• Other names: 2,6,6-trimethylbicyclo[3.1.1]heptan-3-one; D-Pinocamphone
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Options:
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Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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

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Normal alkane RI, non-polar column, temperature ramp

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

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Lee's RI, non-polar column, custom temperature program

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References

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

Engewald, Knobloch, et al., 1991
Engewald, W.; Knobloch, T.; Haufe, G.; Muller, M.; Pohris, V., A Novel Method for Terpene Pattern Determination of Essential Oils by Selectivity Tuning in GC, Fresenius' J. Anal. Chem., 1991, 341, 10, 641-643, https://doi.org/10.1007/BF00322279 . [all data]

Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E., Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system, J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7 . [all data]

Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F., UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok), Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481 . [all data]

Mockute, Bernotiene, et al., 2007
Mockute, D.; Bernotiene, G.; Judzentiene, A., The essential oil of Ground Ivy (Glechoma hederaceae L.) growing wild in Eastern Lithuania, J. Essent. Oil Res., 2007, 19, 5, 449-451, https://doi.org/10.1080/10412905.2007.9699948 . [all data]

Eckel, Ross, et al., 1993
Eckel, W.P.; Ross, B.; Isensee, R.K., Pentobarbital found in ground water, Ground Water, 1993, 31, 5, 801-804, https://doi.org/10.1111/j.1745-6584.1993.tb00853.x . [all data]

Notes

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