cis-Tagetenone

Formula: C₁₀H₁₄O
Molecular weight: 150.2176
IUPAC Standard InChI: InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7-
IUPAC Standard InChIKey: XUINKEIPBTYUJP-CLFYSBASSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- (Z)-2,6-Dimethylocta-2,5,7-trien-4-one
- Ocimenone
Stereoisomers:
- (E)-2,6-Dimethylocta-2,5,7-trien-4-one
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Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	ZB-5	1238.	Vazques, Aimar, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min; T_end: 200. C
Capillary	ZB-5	1231.	Vazquez, Demmel, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min, 200. C @ 5. min

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	ZB-5	1232.	Vazques, Aimar, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified
Capillary	ZB-5	1232.	Vazquez, Demmel, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified

References

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Vazques, Aimar, et al., 2011
Vazques, A.M.; Aimar, M.L.; Demmel, G.I.; Criado, S.G.; Ruiz, G.M.; Cantero, J.J.; Rossi, L.I.; Velasco, M.I., Determination of volatile organic compounds of Tagetes argentina Cabrera (asteraceae) using HS-SPME analysis, Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 5, 463-469. [all data]

Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I., Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses, Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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