khusinol

Formula: C₁₅H₂₄O
Molecular weight: 220.3505
IUPAC Standard InChI: InChI=1S/C15H24O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7,9,12-16H,4-6,8H2,1-3H3/t12-,13?,14-,15?/m1/s1
IUPAC Standard InChIKey: WFHKESPONQXPGD-FEWQNLEASA-N
CAS Registry Number: 24268-34-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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	DB-5	1674.	Tzakou, Harvala, et al., 2000	50. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_end: 250. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1680.	Radusiene, Judzentiene, et al., 2005	50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C

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

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Column type	Active phase	I	Reference	Comment
Capillary	ZB-5	1676.	Simoniatto, Bonani, et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 250. C
Capillary	HP-5	1682.	Javidnia, Miri, et al., 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 260. C
Capillary	CP Sil 5 CB	1699.	Martinez, Rosa, et al., 2004	30. m/0.25 mm/0.25 μm, N2, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	HP-5MS	1671.	Tzakou, Vagias, et al., 2004	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-5	1674.	Javidnia, Miri, et al., 2003	He, 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 260. C
Capillary	HP-5MS	1674.	Demetzos, Angelopoulou, et al., 2002	30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; T_end: 280. C
Capillary	DB-5	1674.	Nogueira, Bittrich, et al., 2001	30. m/0.25 mm/0.25 μm, H2, 3. K/min; T_start: 60. C; T_end: 240. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-5	1668.	Azevedo, Campos, et al., 2002	50. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 3C/min => 240C => 10C/min => 280C(10min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1674.	Lago, Romoff, et al., 2008	30. m/0.32 mm/0.25 μm, Helium, 100. C @ 2. min, 5. K/min, 240. C @ 5. min
Capillary	HP-5 MS	1715.	Sarikurkcu, Tepe, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 50. C; T_end: 240. C
Capillary	DB-5	1682.	Morteza-Semnani K., Akbarzadeh M., et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 220. C
Capillary	DB-5	1675.	Pino, Marbot, et al., 2006	30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; T_end: 280. C
Capillary	DB-5	1675.	Pino, Marbot, et al., 2006	30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; T_end: 280. C
Capillary	DB-1	1658.	Khanavi, Ghasemian, et al., 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min
Capillary	DB-1	1648.	Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 30. min
Capillary	DB-5	1680.	Morteza-Semnani and Saeedi, 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; T_end: 220. C
Capillary	HP-5MS	1674.	Ghasemi, Asghari, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-5	1674.	Pino, Marbot, et al., 2003	30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min
Capillary	HP-5	1661.	Pitarokili, Tzakou, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	HP-5	1672.	Sajjadi and Mehregan, 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-5	1677.	Kobaisy, Tellez, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1677.	Tellez, Dayan, et al., 2000	30. m/0.25 mm/0.25 μm, He, 3. K/min; 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	Polydimethyl siloxanes	1664.	Zenkevich, 1997	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R., Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica, Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9 . [all data]

Radusiene, Judzentiene, et al., 2005
Radusiene, J.; Judzentiene, A.; Bernotiene, G., Essential oil composition and variability of Hypericum perforatum L. growing in Lithuania, Biochem. Syst. Ecol., 2005, 33, 2, 113-124, https://doi.org/10.1016/j.bse.2004.06.010 . [all data]

Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C., Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark, J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002 . [all data]

Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Mehregan, I.; Sadeghpour, H., Volatile constituents of the essential oil of Nepeta ucrainica L. ssp. kopetdaghensis from Iran, Flavour Fragr. J., 2005, 20, 2, 219-221, https://doi.org/10.1002/ffj.1381 . [all data]

Martinez, Rosa, et al., 2004
Martinez, J.; Rosa, P.T.V.; Menut, C.; Leydet, A.; Brat, P.; Pallet, D.; Meireles, M.A.A., Valorization of Brazilian vetiver (Vetiveria zizanioides (L.) Nash ex Small) oil, J. Agric. Food Chem., 2004, 52, 21, 6578-6584, https://doi.org/10.1021/jf049182x . [all data]

Tzakou, Vagias, et al., 2004
Tzakou, O.; Vagias, C.; Gani, A.; Yannitsaros, A., Volatile constituents of essential oils isolated at different growth stages from three Conyza species growing in Greece, Flavour Fragr. J., 2004, 19, 425-428. [all data]

Javidnia, Miri, et al., 2003
Javidnia, K.; Miri, R.; Azarpira, A.; Tabaei, S.M.H., Composition of the essential oil of Stachys setifera C.A. Mey ssp. iranica growing in Iran, Flavour Fragr. J., 2003, 18, 4, 299-300, https://doi.org/10.1002/ffj.1165 . [all data]

Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D., A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece), Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4 . [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

Azevedo, Campos, et al., 2002
Azevedo, N.R.; Campos, I.F.P.; Ferreira, H.D.; Portes, T.A.; Seraphin, J.C.; de Paula, J.R.; Santos, S.C.; Ferri, P.H., Essential oil chemotypes in Hyptis suaveolens from Brazilian Cerrado, Biochem. Syst. Ecol., 2002, 30, 3, 205-216, https://doi.org/10.1016/S0305-1978(01)00075-8 . [all data]

Lago, Romoff, et al., 2008
Lago, J.H.G.; Romoff, P.; Favero, O.A.; Souza, F.O.; Soares, M.G.; Baraldi, P.T.; Correa, A.G., Chemical composition of male and female Baccharis trimera (Less.) DC. (Asteraceae) essential oils, Biochem. Systematics Ecol., 2008, 36, 9, 737-740, https://doi.org/10.1016/j.bse.2008.05.009 . [all data]

Sarikurkcu, Tepe, et al., 2008
Sarikurkcu, C.; Tepe, B.; Daferera, D.; Polissiou, M.; Harmandar, M., Studies on the anioxidant activity of the essential oil and methanol extract of Marrubium globosum subsp. globosum (lamiaceae) by three different chemical assays, Bioresource Technol., 2008, 99, 10, 4239-4246, https://doi.org/10.1016/j.biortech.2007.08.058 . [all data]

Morteza-Semnani K., Akbarzadeh M., et al., 2006
Morteza-Semnani K.; Akbarzadeh M.; Moshiri K., The essential oil composition of Eupatorium cannabinum L. from Iran, Flavour Fragr. J., 2006, 21, 3, 521-523, https://doi.org/10.1002/ffj.1687 . [all data]

Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P., Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley, J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058 . [all data]

Khanavi, Ghasemian, et al., 2005
Khanavi, M.; Ghasemian, L.; Motlagh, E.H.; Hadjiakhoondi, A.; Shafiee, A., Chemical composition of the essential oils of Marrubium parviflorum Fisch. C.A. Mey. and Marrubium vulgare L. from Iran, Flavour Fragr. J., 2005, 20, 3, 324-326, https://doi.org/10.1002/ffj.1425 . [all data]

Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005
Khalighi-Sigaroodi, F.; Hadijiakhoondi, A.; Shahverdi, A.R.; Mozaffarian, V.-A.; Shafiee, A., Chemical composition and antimicrobial activity of the essential oil of Ferulago Bernardii Tomk. and M.Pimen., DARU, 2005, 13, 3, 100-104. [all data]

Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Hypericum androsaemum L. leaves and flowers from Iran, Flavour Fragr. J., 2005, 20, 3, 332-334, https://doi.org/10.1002/ffj.1432 . [all data]

Ghasemi, Asghari, et al., 2003
Ghasemi, N.; Asghari, G.; Ardakani, M.S.; Siahpoush, A., Characterization of volatile constituents from aerial parts of varthemia persica DC (var. persica), Iran. J. Pharm. Res., 2003, 2, 241-243. [all data]

Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C., Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens, J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534 . [all data]

Sajjadi and Mehregan, 2003
Sajjadi, S.E.; Mehregan, I., Composition of the essential oil of Stachys Iaxa Boiss. Buhse, Iran. J. Pharm. Res., 2003, 57-58. [all data]

Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O., Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb., Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8 . [all data]

Tellez, Dayan, et al., 2000
Tellez, M.R.; Dayan, F.E.; Schrader, K.K.; Wedge, D.E.; Duke, S.O., Composition and some biological activities of the essential oils of Callicarpa Americana (L.), J. Agric. Food Chem., 2000, 48, 7, 3008-3012, https://doi.org/10.1021/jf991026g . [all data]

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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