1,3-Hexanediol, 2-ethyl-

• Formula: C₈H₁₈O₂
• Molecular weight: 146.2273
• IUPAC Standard InChI: InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: RWLALWYNXFYRGW-UHFFFAOYSA-N Copy
• CAS Registry Number: 94-96-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Carbide 6-12; Ethohexadiol; Octylene glycol; Repellent 612; Rutgers 612; 2-Ethyl-1,3-hexandiol; 2-Ethyl-1,3-hexanediol; 2-Ethyl-1,3-hexylene glycol; 6-12; 6-12-Insect repellent; 2-Ethylhexane-1,3-diol; Compound 6-12, insect repellent; Ethyl hexanediol; Ethyl hexylene glycol; ENT 375; 2-Ethyl-3-propyl-1,3-propanediol; 2-Ethylhexanediol-1,3; 3-Hydroxymethyl-n-heptan-4-ol; 2-Ethylhexanediol; EH diol; EHD; Ethyl-1,3-hexane diol-2; NSC 3881; Diol-Kyowa 8
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Mass spectrum (electron ionization)
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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase 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

Normal alkane RI, 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Mellan, 1962
Mellan, I., Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]

Blaine and Levy, 1974
Blaine, Roger L.; Levy, Paul F., The Use of Thermal Evolution Analysis (TEA) for the Determination of Vapor Pressure of Agricultural Chemicals, 1974, 185-198, https://doi.org/10.1007/978-1-4757-4509-2₁5 . [all data]

Verevkin, 2007
Verevkin, Sergey P., Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols, J. Chem. Eng. Data, 2007, 52, 1, 301-308, https://doi.org/10.1021/je060419q . [all data]

Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A., Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection, J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH°	Enthalpy of vaporization at standard conditions

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