Benzenepropanol, α,α-dimethyl-

• Formula: C₁₁H₁₆O
• Molecular weight: 164.2441
• IUPAC Standard InChI: InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: YXVSKJDFNJFXAJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 103-05-9
• 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: 1-Propanol, 1,1-dimethyl-3-phenyl-; Benzyl-tert-butanol; Dimethylphenethylcarbinol; Dimethylphenylethylcarbinol; Phenylethyl dimethyl carbinol; 2-(2-Phenylethyl)-2-propanol; 2-Butanol, 2-methyl-4-phenyl-; 2-Methyl-4-phenyl-2-butanol; α,α-Dimethyl-γ-phenylpropyl alcohol; 1,1-Dimethyl-3-phenyl-1-propanol; 1,1-Dimethyl-3-phenylpropanol; Benzyl-t-butanol; 1,1-Dimethyl-3-phenylpropyl alcohol; 1-Phenyl-3-methylbutan-3-ol; 2-Phenethyl-2-propanol; NSC 62145; 2-methyl-4-phenylbutan-2-ol
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
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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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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, 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.

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

Notes

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