Benzoic acid, hexyl ester
- Formula: C13H18O2
- Molecular weight: 206.2808
- IUPAC Standard InChIKey: UUGLJVMIFJNVFH-UHFFFAOYSA-N
- CAS Registry Number: 6789-88-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: n-Hexyl benzoate; Hexyl benzoate; Benzoic acid n-hexyl ester; Hexylester kyseliny benzoove
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 170. | 1575.95 | Mijin and Antonovic, 2006 | 30. m/0.256 mm/0.25 μm, N2 |
Capillary | DB-5 | 170. | 1595.76 | Mijin and Antonovic, 2006 | 60. m/0.321 mm/0.25 μm, N2 |
Capillary | SE-30 | 160. | 1556. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 180. | 1555. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 200. | 1557. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 220. | 1568. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 240. | 1572. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 160. | 1558. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 180. | 1566. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 200. | 1573. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Packed | SE-30 | 120. | 1549. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Packed | SE-30 | 140. | 1556. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 8 CB | 1579. | Tayoub, Schwob, et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
Capillary | CP Sil 8 CB | 1579. | Tayoub, Schwob, et al., 2006, 2 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
Capillary | DB-1 | 1551. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 1551. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-351 | 180. | 2069. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 200. | 2097. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 220. | 2093. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 160. | 2073. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 180. | 2081. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 200. | 2107. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1599. | Zaikin, 2010 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
Capillary | HP-5MS | 1576.5 | Zhao C.X., Li, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
Capillary | HP-5 | 1574. | Lazari, Skaltsa, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | OV-101 | 1548.3 | Wang and Sun, 1987 | 26. m/0.26 mm/0.3 μm, 2. K/min; Tstart: 100. C; Tend: 240. C |
Capillary | OV-101 | 1547.1 | Wang and Sun, 1987 | 26. m/0.26 mm/0.3 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-101 | 1557.4 | Wang and Sun, 1987 | 26. m/0.26 mm/0.3 μm, 8. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-101 | 1565.3 | Wang and Sun, 1987 | 21.5 m/0.27 mm/2. μm, 6. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-101 | 1550.5 | Wang and Sun, 1987 | 21.5 m/0.27 mm/0.14 μm, 6. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-101 | 1556. | Wang and Sun, 1987, 2 | 26.5 m/0.25 mm/0.14 μm, 70. C @ 4.08 min, 9. K/min; Tend: 240. C |
Capillary | OV-101 | 1559.28 | Wang, Zhong, et al., 1987 | 24. m/0.26 mm/0.5 μm, 6. K/min; Tstart: 80. C; Tend: 240. C |
Capillary | SE-30 | 1551. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 310. C |
Capillary | SE-30 | 1565. | Korhonen and Lind, 1985 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
Capillary | SE-30 | 1550. | Korhonen and Lind, 1985 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
Capillary | SE-30 | 1558. | Korhonen and Lind, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C |
Packed | SE-30 | 1565. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-351 | 2046. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 220. C |
Capillary | OV-351 | 2070. | Korhonen and Lind, 1985 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
Capillary | OV-351 | 2033. | Korhonen and Lind, 1985 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
Capillary | OV-351 | 2051. | Korhonen and Lind, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
Packed | Carbowax 20M | 2069. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1581. | Bi Kouame, Bedi, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 50. K/min, 300. C @ 5. min |
Capillary | HP-5 MS | 1580. | Forero, Quijano, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min |
Capillary | HP-5 | 1585. | Bertrand, Comte, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
Capillary | HP-1 | 1545. | Castel, Fernandez, et al., 2006 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 120. min; Tstart: 60. C |
Capillary | HP-101 | 1561. | Mastelic, Jerkovic, et al., 2006 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
Capillary | HP-5 | 1576. | Pino, Sauri-Duch, et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 4. K/min, 280. C @ 10. min |
Capillary | HP-5 | 1589. | Wang, Yang, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min |
Capillary | DB-1 | 1560. | 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 | HP-5MS | 1576. | Tesevic, Nikicevic, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
Capillary | ZB-5 | 1593. | Jürgens and Dötterl, 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4.6 min, 6. K/min, 260. C @ 1. min |
Capillary | HP-5 | 1577. | Bicalho, Pereira, et al., 2000 | 30. m/0.25 mm/0.25 μm, H2, 40. C @ 10. min, 3. K/min, 280. C @ 10. min |
Capillary | Ultra-1 | 1540. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | HP-1 | 1551.9 | Yin and Sun, 1990 | 12. m/0.2 mm/0.33 μm, 40. C @ 0.395 min, 16. K/min |
Capillary | HP-1 | 1542.7 | Yin and Sun, 1990 | 12. m/0.2 mm/0.33 μm, 40. C @ 0.4 min, 4. K/min |
Capillary | HP-1 | 1552.8 | Yin and Sun, 1990 | 12. m/0.2 mm/0.33 μm, 40. C @ 0.801 min, 8. K/min |
Capillary | HP-1 | 1552.2 | Yin and Sun, 1990 | 25. m/0.32 mm/0.52 μm, 40. C @ 0.8 min, 8. K/min |
Capillary | HP-1 | 1556.5 | Yin and Sun, 1990 | 50. m/0.2 mm/0.11 μm, 40. C @ 3.194 min, 6. K/min |
Capillary | DB-1 | 1549. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1580. | Bi Kouame, Bedi, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 1581. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) |
Capillary | SLB-5 MS | 1579. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 1580. | Nivinsliene, Butkiene, et al., 2007 | 50. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
Capillary | SE-30 | 1558. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-1 | 1551. | Binder and Flath, 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2056. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | Carbowax 20M | 2028. | Kawakami, Ganguly, et al., 1995 | 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | DB-Wax | 2076. | Binder and Flath, 1989 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax FSC | 2095. | Baser, Özek, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C |
Capillary | HP-Innowax FSC | 2095. | Demirci B., Baser K.H.C., et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | HP-Innowax | 2056. | Quijano and Pino, 2006 | 60. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C |
Capillary | Carbowax 20M | 2066. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-Innowax FSC | 2095. | Demirci, Dadandi, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | HP-Innowax FSC | 2096. | Tabanca, Kirimer, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | HP-Innowax FSC | 2096. | Kamariah, Lim, et al., 1999 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(20min) |
Capillary | DB-Wax | 2074. | Binder and Flath, 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mijin and Antonovic, 2006
Mijin, D.; Antonovic, D.G.,
The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns,
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Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLV. Retention Behaviour of C1-C12 n-Alkyl Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns,
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Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A.,
Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids,
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Pías and Gascó, 1975
Pías, J.B.; Gascó, L.,
GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols,
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Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J.,
Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
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Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
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Takeoka, Flath, et al., 1990
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Volatile Constituents of Apricot (Prunus armeniaca),
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Zaikin, 2010
Zaikin, V.G.,
Personal communication: Retention indices measured during 2010, 2010. [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,
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Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Cerastium candidissimum, a Greek endemic species,
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Wang, T.; Sun, Y.,
On the influence of the solute sample size on temperature-programmed retention indices,
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Wang and Sun, 1987, 2
Wang, T.; Sun, Y.,
Reproducibility of Temperature-Programmed Retention Indices on Several OV-101 Columns,
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Wang, Zhong, et al., 1987
Wang, T.; Zhong, B.; Chen, M.; Sun, Y.,
Definitions and Methods of Calculation of the Temperature-Programmed Retention Index, ITP. III. A Simplified Calculation Method Based on the Extended Kovats Definition,
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van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
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Bi Kouame, Bedi, et al., 2010
Bi Kouame, F.P.; Bedi, G.; Koffi, A.M.; Chalchat, J.C.; Guessan, T.Y.N.,
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Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A.,
Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
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Bertrand, Comte, et al., 2006
Bertrand, C.; Comte, G.; Piola, F.,
Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species,
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Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
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Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M.,
Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L.,
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Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R.,
Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages,
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Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y.,
Chemical variation in the essential oil of Ephedra sinica from Northeastern China,
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Khanavi, Ghasemian, et al., 2005
Khanavi, M.; Ghasemian, L.; Motlagh, E.H.; Hadjiakhoondi, A.; Shafiee, A.,
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Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M.,
Volatile components from old plum brandies,
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Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
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Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M.,
Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles,
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Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
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Yin and Sun, 1990
Yin, H.F.; Sun, Y.L.,
The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors,
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Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
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. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
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Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
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Binder and Flath, 1989
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Werkhoff, Güntert, et al., 1998
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Baser, Özek, et al., 2006
Baser, K.H.C.; Özek, G.; Özek, T.; Duran, A.; Duman, H.,
Composition of the essential oils of Rhabdosciadium oligocarpum (Post ex Boiss.) Hedge et Lamond and Rhabdosciadium microcalycinum Hand.-Mazz.,
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Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A.,
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Demirci, Dadandi, et al., 2003
Demirci, B.; Dadandi, M.Y.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K.,
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Tabanca, Kirimer, et al., 2001
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Kamariah, Lim, et al., 1999
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. [all data]
Notes
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