Citronellyl butyrate

• Formula: C₁₄H₂₆O₂
• Molecular weight: 226.3550
• IUPAC Standard InChI: InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: XQPZQXTWYZAXAK-UHFFFAOYSA-N Copy
• CAS Registry Number: 141-16-2
• Chemical structure:
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• Other names: Butanoic acid, 3,7-dimethyl-6-octenyl ester; Butyric acid, 3,7-dimethyl-6-octenyl ester; Citronellyl n-butyrate; Natural rhodinol, butylated; Rhodinyl butyrate; 2,6-Dimethyl-2-octen-8-ol, butyrate; 2,6-Dimethyl-2-octen-8-yl butyrate; 6-Octen-1-ol, 3,7-dimethyl-, butyrate; 3,7-Dimethyl-6-octenyl butyrate; Citronellyl butanoate; 3,7-Dimethyl-6-octenyl butanoate; Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester; Butyric acid, ester with citronellol; NSC 46147; 3,7-dimethyloct-6-en-1-yl butyrate; 134982-45-9; 76444-24-1
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• Information on this page:
  • Kovats' RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Kovats' 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, Kovats' 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.

Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J., Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry, Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a . [all data]

Adams, 1998
Adams, R.P., The essential oils and chemotaxonomy of Juniperus sect. Juniperus, Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9 . [all data]

Notes

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