Benzeneacetaldehyde, α-methyl-

• Formula: C₉H₁₀O
• Molecular weight: 134.1751
• IUPAC Standard InChI: InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3 Copy

  
• IUPAC Standard InChIKey: IQVAERDLDAZARL-UHFFFAOYSA-N Copy
• CAS Registry Number: 93-53-8
• 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:
  • C₉H₁₀O
  • α-Methylbenzeneacetaldehyde
• Other names: Hydratropaldehyde; α-Formylethylbenzene; α-Methyl-α-toluic aldehyde; α-Phenylpropionaldehyde; Cumene aldehyde; Hyacinthal; Hydratropa aldehyde; Hydratropic aldehyde; Hydrotropic aldehyde; 2-Phenylpropanal; 2-Phenylpropionaldehyde; α-Methylphenylacetaldehyde; α-Tolualdehyde, α-methyl-; Propionaldehyde, 2-phenyl-; Aldehyd hydratropovy; 2-Fenyl-1-propanal; 2-Phenyl-1-propanal; Benzene, (1-formylethyl)-; (.+/-.)-Hydratropic aldehyde; NSC 5231
• Information on this page:
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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

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

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

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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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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]

Shapi and Hesso, 1990
Shapi, M.M.; Hesso, A., Thermal decomposition of polystyrene volatile compounds from large-scale pyrolysis, J. Anal. Appl. Pyrolysis, 1990, 18, 2, 143-161, https://doi.org/10.1016/0165-2370(90)80004-8 . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Khudobina and Zenkevich, 1984
Khudobina, G.V.; Zenkevich, I.G., Chromato Mass Spectrometric Identification of Dimers in Recycled Styrene, VINITI, # 8039-84, 1984, 14. [all data]

Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B., Headspace constituents of opium, Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447 . [all data]

Notes

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