cis-Verbenyl acetate

Formula: C₁₂H₁₈O₂
Molecular weight: 194.2701
IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9?,10?,11-/m1/s1
IUPAC Standard InChIKey: OZBFUQLOVFXDNK-VQXHTEKXSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
Other names: (Z)-Verbenyl acetate
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1280.	Juliani, Zygadlo, et al., 2004	30. m/0.25 mm/0.25 μm, He, 60. C @ 1. min, 4. K/min, 200. C @ 15. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1257.	Roscigno, 1998	30. m/0.25 mm/0.25 μm; Program: 50C(5min) => 2C/min => 250C (60min) => 2C/min => 270C => 1C/min => 290C

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

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil PONA GB	1264.	Cunicao, Lopes, et al., 2007	100. m/0.25 mm/0.25 μm, He, 140. C @ 10. min, 5. K/min, 230. C @ 25. min
Capillary	SPB-5	1282.	Pino, Marbot, et al., 2003	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	RTX-5	1279.	Shellie, Marriott, et al., 2003	30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; T_end: 250. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1282.	Farah, Afifi, et al., 2006	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	DB-5	1278.	Khayyat and Karimi, 2005	He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1279.	Khayyat and Karimi, 2005	He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 60. C; T_end: 240. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1264.	Figueiredo, Sim-Sim, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min)
Capillary	SE-30	1272.	Vinogradov, 2004	Program: not specified
Capillary	Methyl Silicone	1272.	Zenkevich, 1999	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Juliani, Zygadlo, et al., 2004
Juliani, H.R.; Zygadlo, J.A.; Scrivanti, R.; de la Sota, E.; Simon, J.E., The essential oil of Anemia tomentosa (Savigny) Sw. var. anthriscifolia (Schrad.) Mickel, Flavour Fragr. J., 2004, 19, 6, 541-543, https://doi.org/10.1002/ffj.1341 . [all data]

Roscigno, 1998
Roscigno, G., Estrazione supercritica di principi farmaceutici e biopesticidi, Tesi di Laurea, Universita degli Studi di Salerno, Salerno, Italy, 1998, 121. [all data]

Cunicao, Lopes, et al., 2007
Cunicao, M.M.; Lopes, A.R.; Côcco, L.C.; Yamamoto, C.I.; Plocharski, R.C.B.; Miguel, M.D.; Junior, A.G.; Auer, C.G.; Miguel, O.G., Phytochemical and antibacterial evaluation of essential oils from Ottonia Martiana Miq. (Piperaceae), J. Braz. Chem. Soc., 2007, 18, 1, 184-188, https://doi.org/10.1590/S0103-50532007000100021 . [all data]

Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba, Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187 . [all data]

Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G., Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils, J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597 . [all data]

Farah, Afifi, et al., 2006
Farah, A.; Afifi, A.; Fechtal, M.; Chhen, A.; Satrani, B.; Talbi, M.; Chaouch, A., Fractional distillation effect on the chemical composition of Moroccan myrtle (Myrtus communis L.) essential oils, Flavour Fragr. J., 2006, 21, 2, 351-354, https://doi.org/10.1002/ffj.1651 . [all data]

Khayyat and Karimi, 2005
Khayyat, M.H.; Karimi, H., Composition of the volatile oils of three different species of Artemisia, Iranian Journal of Pharmaceutical Sciences, 2005, 1, 1, 29-32. [all data]

Figueiredo, Sim-Sim, et al., 2005
Figueiredo, A.C.; Sim-Sim, M.; Costa, M.M.; Barroso, J.G.; Pedro, L.G.; Esquível, M.G.; Gutierres, F.; Lobo, C.; Fontinha, S., Comparison of the essential oil composition of four Plagiochila species: P. bifaria, P. maderensis, P. retrorsa and P. stricta, Flavour Fragr. J., 2005, 20, 6, 703-709, https://doi.org/10.1002/ffj.1627 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1999
Zenkevich, I.G., Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols, Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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