Asarone

• Formula: C₁₂H₁₆O₃
• Molecular weight: 208.2536
• IUPAC Standard InChI: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+ Copy

  
• IUPAC Standard InChIKey: RKFAZBXYICVSKP-AATRIKPKSA-N Copy
• CAS Registry Number: 2883-98-9
• 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:
  • (E)-Azarone
• Stereoisomers:
  • β-Asarone
• Other names: (E)-2,4,5-Trimethoxypropenylbenzene; trans-2,4,5-Trimethoxypropenylbenzene; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-; Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-; Asaron; Asarone, trans-; α-Asarone; trans-Asarone; Asarum camphor; Benzene, 1,2,4-trimethoxy-5-propenyl-, trans-; Etherophenol; trans-Isoasarone; E-2,4,5-Trimethoxy-prop-1-enylbenzene; (E)-Asarone; trans-Isoasaron; (E)-1,2,4-Trimethoxy-5-(prop-1-en-1-yl)benzene; 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene; (E)-Azarone; (E)-1,2,4-trimethoxy-5-prop-1-enylbenzene
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
  • Switch to calorie-based units

Mass spectrum (electron ionization)

Go To: Top, Gas Chromatography, References, Notes

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

Gas Chromatography

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

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, temperature ramp

View large format table.

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

View large format table.

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

View large format table.

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

View large format table.

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Normal alkane RI, polar column, temperature ramp

View large format table.

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.

Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V., Essential oil composition of Acorus calamus L. from the lower region of the Himalayas, Flavour Fragr. J., 2003, 18, 1, 18-20, https://doi.org/10.1002/ffj.1136 . [all data]

Boti, Koukoua, et al., 2007
Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J., Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire, Flavour Fragr. J., 2007, 22, 1, 27-31, https://doi.org/10.1002/ffj.1743 . [all data]

Radulovic, Misic, et al., 2007
Radulovic, N.; Misic, M.; Aleksic, J.; Dokovic, D.; Palic, R.; Stojanovic, G., Antimicrobial synergism and antagonism of salicylaldehyde in Filipendula vulgaris essential oil, Fitoterapia, 2007, 78, 7-8, 565-570, https://doi.org/10.1016/j.fitote.2007.03.022 . [all data]

bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ahmad, N.W.; Jamal, J.A., Insecticidal activities of the leaf oils of eight Cinnamomum species against Aedes aegypti and Aedes albopictus, Pharm. Biol., 2005, 43, 6, 526-532, https://doi.org/10.1080/13880200500220771 . [all data]

Zhang, Xu, et al., 2005
Zhang, F.; Xu, Q.; Fu, S.; Ma, X.; Xiao, H.; Liang, X., Chemical constituents of the essential oil of Asarum forbesii Maxim (Aristolochiaceae), Flavour Fragr. J., 2005, 20, 3, 318-320, https://doi.org/10.1002/ffj.1423 . [all data]

Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J., Identification of the components of the essential oil from wild Corsican Daucus carota L. using ¹³C-NMR spectroscopy, Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330 . [all data]

Oprean, Tamas, et al., 1998
Oprean, R.; Tamas, M.; Sandulescu, R.; Roman, L., Essential oils analysis. I. Evaluation of essential oils composition using both GC and MS fingerprints, J. Pharm. Biomed. Anal., 1998, 18, 4-5, 651-657, https://doi.org/10.1016/S0731-7085(98)00283-0 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Mesa-Arango, Betancur-Galvis, et al., 2010
Mesa-Arango, A.C.; Betancur-Galvis, L.; Montiel, J.; Bueno, J.G.; Baena, A.; Duran, D.C.; Martinez, J.R.; Stashenko, E.E., Antifungal activity and chemical composition of the essential oils of Lippia alba (Miller) N.E. Brown grown in different regions of Colombia, J. Essential Oil Res., 2010, 22, 6, 568-574, https://doi.org/10.1080/10412905.2010.9700402 . [all data]

Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A., Chemical composition of the essential oil and supercritical CO₂ extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L., J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x . [all data]

bin Jantan, Ayop, et al., 2004
bin Jantan, I.; Ayop, N.; Mohd Ali, N.A.; Ahmad, A.S.; Yalvema, M.F.; Muhammad, K.; Azizi, A.R., The essential oils of Cinnamomum rhyncophyllum Miq. as natural sources of benzyl benzoate, safrole and methyl (E)-cinnamate, Flavour Fragr. J., 2004, 19, 3, 260-262, https://doi.org/10.1002/ffj.1301 . [all data]

Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M., Essential oils from two endemic species of Apiaceae from Iran, Z. Naturforsch. C:, 2003, 58, 459-463. [all data]

Bai, Liu, et al., 2011
Bai, C.Q.; Liu, Z.L.; Liu, Q.Z., Nematicidal constituents from the essential oil of Chenopodium ambrosioides aerial parts, E-Journal of Chemistry, 2011, 8, S1, s143-s148, https://doi.org/10.1155/2011/470862 . [all data]

Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G., Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves, J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x . [all data]

Notes

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

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.