Safrole

• Formula: C₁₀H₁₀O₂
• Molecular weight: 162.1852
• IUPAC Standard InChI: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 Copy

  
• IUPAC Standard InChIKey: ZMQAAUBTXCXRIC-UHFFFAOYSA-N Copy
• CAS Registry Number: 94-59-7
• 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: 1,3-Benzodioxole, 5-(2-propenyl)-; Benzene, 4-allyl-1,2-(methylenedioxy)-; m-Allylpyrocatechin methylene ether; Allylcatechol methylene ether; Allylpyrocatechol methylene ether; Rhyuno oil; Safrene; Safrol; Safrole MF; Shikimole; Shikomol; 1-Allyl-3,4-(methylenedioxy)benzene; 3,4-(Methylenedioxy)allylbenzene; 4-Allyl-1,2-(methylenedioxy)benzene; 5-Allyl-1,3-benzodioxole; (1,2-(Methylenedioxy)-4-allyl)benzene; 1,3-Benzodioxole, 5-allyl-; 4-Allylpyrocatechol formaldehyde acetal; 5-(2-Propenyl)-1,3-benzodioxole; Benzene, 1,2-methylenedioxy-4-allyl-; Rcra waste number U203; 3-(3,4-Methylenedioxyphenyl)prop-1-ene; 1,3-Benzodioxole, 5-(2-propen-1-yl)-; Allyldioxybenzene methylene ether; NSC 11831
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Go To: Top, 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

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

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

Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J., Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam, Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799 . [all data]

Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [all data]

Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T., Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts, Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]

Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q., Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods, Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008 . [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]

bin Jantan, Yalvema, et al., 2005, 2
bin Jantan, I.; Yalvema, M.F.; Ayop, N.; Ahmad, A.S., Constituents of the essential oils of Cinnamomum sintoc Blume from a mountain forest of Peninsular Malaysia, Flavour Fragr. J., 2005, 20, 6, 601-604, https://doi.org/10.1002/ffj.1495 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [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]

Jantan, Ling, et al., 2003
Jantan, I.; Ling, Y.E.; Romli, S.; Ayop, N.; Ahmad, A.S., A comparative study of the constituents of the essential oils of three Cinnamomum species from Malaysia, J. Essent. Oil Res., 2003, 15, 6, 387-391, https://doi.org/10.1080/10412905.2003.9698618 . [all data]

bin Jantan, Ayop, et al., 2002
bin Jantan, I.; Ayop, N.; Hiong, A.B.; Ahmad, A.S., Chemical composition of the essential oils of Cinnamomum cordatum Kosterm, Flavour Fragr. J., 2002, 17, 3, 212-214, https://doi.org/10.1002/ffj.1075 . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S., Essential oil constituents of some Piper species, Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0 . [all data]

Tam, An, et al., 1998
Tam, N.T.; An, H.L.; Muselli, a.; Bighelli, A.; Casanova, J., Essential oil of an unidentified Illicium species from Ninh Binh Province, Vietnam, Flavour Fragr. J., 1998, 13, 6, 393-396, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<393::AID-FFJ764>3.0.CO;2-R . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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