Geranyl acetate

• Formula: C₁₂H₂₀O₂
• Molecular weight: 196.2860
• IUPAC Standard InChI: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ Copy

  
• IUPAC Standard InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N Copy
• CAS Registry Number: 105-87-3
• 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:
  • Acetic acid, geranyl ester
• Stereoisomers:
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate
• Other names: 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; Acetic acid, geraniol ester; Bay pine (oyster) oil; Geraniol acetate; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; NCI-C54728; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; Geranyl ethanoate; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; Meraneine; trans-Geranyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; NSC 2584; (2E)-3,7-Dimethyl-2,6-octadienyl acetate; (E)-3,7-Dimethyl-2,6-octadien-1-ol acetate
• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Kovats' RI, polar column, isothermal

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Kovats' RI, polar column, temperature ramp

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

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

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

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Van Den Dool and Kratz RI, polar column, custom temperature program

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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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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

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