2,4-Pentanediol

• Formula: C₅H₁₂O₂
• Molecular weight: 104.1476
• IUPAC Standard InChI: InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: GTCCGKPBSJZVRZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 625-69-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (R*,S*)-pentane-2,4-diol
  • (2R,4R)-(-)-Pentanediol
• Other names: 2,4-Amylene glycol; Pentane-2,4-diol; 2,4-Pentanediol (dl+meso); dl-2,4-Pentanediol; Isoamylene alcohol; Pentanediol-2,4
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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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Normal alkane RI, non-polar column, temperature ramp

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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.

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

Notes

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