2-Pentanone, 5-(acetyloxy)-

• Formula: C₇H₁₂O₃
• Molecular weight: 144.1684
• IUPAC Standard InChI: InChI=1S/C7H12O3/c1-6(8)4-3-5-10-7(2)9/h3-5H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: QYAHGDMPUORRQD-UHFFFAOYSA-N Copy
• CAS Registry Number: 5185-97-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2-Pentanone, 5-hydroxy-, acetate; γ-Acetylpropyl acetate; Acetopropyl acetate; 3-Acetylpropyl acetate; 4-Ketovaleryl acetate; 4-Oxopentyl acetate; 5-Acetoxypentan-2-one; CH3C(O)O(CH2)3C(O)CH3; 5-Hydroxy-2-pentanone acetate; 1-Acetoxy-4-pentanone; Acetic acid, 4-oxopentyl ester
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• Information on this page:
  • Reaction thermochemistry data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  =  + 

By formula: C₇H₁₂O₃ + H₂O = C₅H₁₀O₂ + C₂H₄O₂

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

Normal alkane 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.

Grigor'ev, Katsman, et al., 1981
Grigor'ev, A.A.; Katsman, E.A.; Bobrov, A.F.; Dan'ko, T.N.; Pinkhasik, E.V., Preparation of γ-acetopropyl alcohol, Sov. Chem. Ind. (Engl. Transl.), 1981, 967-972. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Notes

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• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

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