Phenol, 2-methyl-5-(1-methylethyl)-

• Formula: C₁₀H₁₄O
• Molecular weight: 150.2176
• IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 Copy

  
• IUPAC Standard InChIKey: RECUKUPTGUEGMW-UHFFFAOYSA-N Copy
• CAS Registry Number: 499-75-2
• 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.
• Other names: Carvacrol; p-Cymen-2-ol; Antioxine; Isothymol; Karvakrol; 2-Hydroxy-p-cymene; 2-Methyl-5-isopropylphenol; 5-Isopropyl-2-methylphenol; 2-Methyl-5-(1-methylethyl)phenol; o-Cresol, 5-isopropyl-; o-Thymol; p-Cymene, 2-hydroxy-; Isopropyl-o-cresol; Phenol, 5-isopropyl-2-methyl-; 1-Hydroxy-2-methyl-5-isopropylbenzene; 2-p-Cymenol; 5-Isopropyl-o-cresol; 3-Isopropyl-6-methylphenol; Phenol, 3-isopropyl-6-methyl-; Oxycymol; 6-methyl-3-isopropylphenol; NSC 6188
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
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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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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Kovats' RI, polar column, temperature ramp

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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, non-polar column, custom temperature program

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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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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Tudor and Moldovan, 1999
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Lucero, Estell, et al., 2003
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Juliani and Simon, 2002
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Raina, Lal, et al., 2002
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Raina, Srivastava, et al., 2002
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Kitic, Palic, et al., 2001
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Senatore and Rigano, 2001
Senatore, F.; Rigano, D., Essential oil of two Lippia spp. (Verbenaceae) growing wild in Guatemala, Flavour Fragr. J., 2001, 16, 3, 169-171, https://doi.org/10.1002/ffj.972 . [all data]

Adams, 2000
Adams, R.P., Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7 . [all data]

Adams, 2000, 2
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

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Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Fredrickson, E.L.; Havstad, K.M., Essential oil of Dyssodia acerosa DC., J. Agric. Food Chem., 1997, 45, 8, 3276-3278, https://doi.org/10.1021/jf9701502 . [all data]

Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M., A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi, J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613 . [all data]

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Andersen, A.; Gagnon, H.; Collin, G.; Adams, R.P., Essential oil of the wood of Thuja occidentalis L., J. Essent. Oil Res., 1995, 7, 5, 489-495, https://doi.org/10.1080/10412905.1995.9698572 . [all data]

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Alissandrakis E., Tarantilis P.A., et al., 2007
Alissandrakis E.; Tarantilis P.A.; Harizanis P.C.; Polissiou M., Comparison of the volatile composition in thyme honeys from several origins in Greece, J. Agric. Food Chem., 2007, 55, 20, 8152-8157, https://doi.org/10.1021/jf071442y . [all data]

Dwivedi, Khan, et al., 2004
Dwivedi, S.; Khan, M.; Srivastava, S.K.; Syamasunnder, K.V.; Srivastava, A., Essential oil composition of different accessions of Mentha × piperita L. grown on the northern plains of India, Flavour Fragr. J., 2004, 19, 5, 437-440, https://doi.org/10.1002/ffj.1333 . [all data]

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Khouri, N.; Usubillaga, A.; Rojas, L.B.; Galarraga, F., The essential oil of Espeletia weddellii Sch. Bip. ex Wedd., Flavour Fragr. J., 2000, 15, 4, 263-265, https://doi.org/10.1002/1099-1026(200007/08)15:4<263::AID-FFJ907>3.0.CO;2-Q . [all data]

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Saroglou, V.; Arfan, M.; Shabir, A.; Hadjipavlou-Litina, D.; Skaltsa, H., Composition and antioxidant activity of the essential oil of Teucrium royleanum Wall. ex Benth growing in Pakistan, Flavour Fragr. J., 2007, 22, 2, 154-157, https://doi.org/10.1002/ffj.1774 . [all data]

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Dob, Dahmane, et al., 2005
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Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A., Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry, J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131 . [all data]

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Senatore, Napolitano, et al., 2005
Senatore, F.; Napolitano, F.; Arnold, N.A.; Bruno, M.; Herz, W., Composition and antimicrobial activity of the essential oil of Achillea falcata L. (Asteraceae), Flavour Fragr. J., 2005, 20, 3, 291-294, https://doi.org/10.1002/ffj.1411 . [all data]

Simionatto, Porto, et al., 2005
Simionatto, E.; Porto, C.; da Silva, U.F.; Squizani, A.; Dalcol, I.I.; Morel, A.F., Composition and antimicrobial activity of the essential oil from Aloysia sellowii, J. Braz. Chem. Soc., 2005, 16, 6B, 1458-1462, https://doi.org/10.1590/S0103-50532005000800028 . [all data]

Alma, Nitz, et al., 2004
Alma, M.H.; Nitz, S.; Kollmannsberger, H.; Digrak, M.; Efe, F.T.; Yilmaz, N., Chemical composition and antimicrobial activity of the essential oils from the gum of Turkish Pistachio (Pistacia vera L.), J. Agric. Food Chem., 2004, 52, 12, 3911-3914, https://doi.org/10.1021/jf040014e . [all data]

Antunes, Sevinate-Pinto, et al., 2004
Antunes, T.; Sevinate-Pinto, I.; Barroso, J.G.; Cavaleiro, C.; Salgueiro, L.R., Micromorphology of trichomes and composition of essential oil of Teucrium capitatum, Flavour Fragr. J., 2004, 19, 4, 336-340, https://doi.org/10.1002/ffj.1310 . [all data]

Chorianopoulos, Kalpoutzakis, et al., 2004
Chorianopoulos, N.; Kalpoutzakis, E.; Aligiannis, N.; Mitaku, S.; Nychas, G.-J.; Haroutounian, S.A., Essential oils of Satureja, Origanum, and Thymus species: chemical composition and antibacterial activities against foodborne pathogens, J. Agric. Food Chem., 2004, 52, 26, 8261-8267, https://doi.org/10.1021/jf049113i . [all data]

Flamini, Luigi Cioni, et al., 2004
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