4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m1/s1
- IUPAC Standard InChIKey: CZVXBFUKBZRMKR-SNVBAGLBSA-N
- CAS Registry Number: 498-16-8
- 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. - Stereoisomers:
- Other names: 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)-; (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol; (-)-Lavandulol; Lavandulol; (R)-Lavandulol; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (2R)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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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 |
|---|---|---|---|---|---|
| Packed | OV-101 | 140. | 1159. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Packed | OV-101 | 150. | 1161. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Packed | OV-101 | 160. | 1163. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Packed | OV-101 | 170. | 1165. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS; Column length: 2. m |
| Capillary | OV-101 | 140. | 1159. | Benecke, Thieme, et al., 1982 | |
| Capillary | OV-101 | 150. | 1161. | Benecke, Thieme, et al., 1982 | |
| Capillary | OV-101 | 160. | 1163. | Benecke, Thieme, et al., 1982 | |
| Capillary | OV-101 | 170. | 1165. | Benecke, Thieme, et al., 1982 | |
| Packed | Apiezon L | 150. | 1135. | ter Heide, 1976 |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1162. | Angioni, Barra, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 15. min; Tstart: 60. C |
| Capillary | BP-1 | 1150. | Raina, Verma, et al., 2006 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | SPB-1 | 1156. | Walde, Jyothirmayi, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min, 240. C @ 2. min |
| Capillary | SPB-5 | 1185. | Gauvin, Lecomte, et al., 2004 | 60. m/0.32 mm/1. μm, He, 4. K/min, 200. C @ 30. min; Tstart: 60. C |
| Capillary | BP-1 | 1155. | Raina, Lal, et al., 2002 | 60. m/0.32 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-1 | 1140. | Palá-Paúl, Velasco-Negueruela, et al., 2001 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C |
| Capillary | Methyl Silicone | 1156.6 | Rao, Rajanikanth, et al., 1989 | 4. K/min, 250. C @ 15. min; Column length: 12. m; Column diameter: 0.5 mm; Tstart: 70. C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1707. | ter Heide, 1976 |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Wax | 1726. | Gauvin, Lecomte, et al., 2004 | 50. m/0.2 mm/0.4 μm, He, 4. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | Supelcowax-10 | 1698. | Wong and Teng, 1994 | He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-101 | 1157. | Politeo, Jukic, et al., 2007 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
| Capillary | SPB-1 | 1167. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1170. | Blagojevic, Radulovic, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | RTX-1 | 1148. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | DB-5 | 1171. | Dob, Dahmane, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 3. min |
| Capillary | HP-5MS | 1169. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | RTX-1 | 1148. | Paolini, Costa, et al., 2005 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-1 | 1149. | Vellutini, Baldovini, et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | HP-5MS | 1170. | Salido, Valenzuela, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1150. | Pintore, Usai, et al., 2002 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-5 | 1166. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | RTX-5 | 1175. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5 | 1165. | Couladis, Tsortanidou, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C |
| Capillary | HP-5MS | 1170. | Salido, Altarejos, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-101 | 1169. | Chung, Eiserich, et al., 1993 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C |
| Packed | OV-101 | 1153. | Szabolcs, Benecke, et al., 1985 | Ar, W-AW-DMCS, 2. K/min; Column length: 2. m; Tstart: 100. C |
| Capillary | OV-101 | 1153. | Benecke, Thieme, et al., 1982 | 2. K/min; Tstart: 100. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1167. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1634. | Politeo, Jukic, et al., 2007 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min |
| Capillary | RTX-Wax | 1662. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | Polyethylene Glycol | 1682. | Dob, Dahmane, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 50. C @ 10. min, 2. K/min, 230. C @ 15. min |
| Capillary | RTX-Wax | 1671. | Paolini, Costa, et al., 2005 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | BP-20 | 1673. | Vellutini, Baldovini, et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | Supelcowax | 1672. | Bassole, Ouattara, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 10. min; Tstart: 40. C |
| Capillary | BP-20 | 1675. | Pintore, Usai, et al., 2002 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-Wax | 1662. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | RTX-Wax | 1682. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | Carbowax 20M | 1663. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
| Capillary | HP-20M | 1677. | Chung, Eiserich, et al., 1993 | He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 190. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1170. | Farhat, Ginies, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | DB-5 | 1175. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 45. C @ 3. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-5 MS | 1168. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min |
| Capillary | HP-1 | 1149. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
| Capillary | DB-1 | 1150. | Hadian, Sonboli, et al., 2006 | 60. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | DB-1 | 1145. | Iranshahi, Amin, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
| Capillary | Methyl Silicone | 1164. | Kitchlu, Bakshi, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 7. K/min; Tend: 220. C |
| Capillary | DB-1 | 1153. | Fakhari, Salehi, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | DB-1 | 1153. | Palá-Paúl, Pérez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | SPB-1 | 1150. | Wong and Tan, 2005 | 50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | BP-1 | 1149. | Blanc, Muselli, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-1 | 1150. | Lis, Boczek, et al., 2004 | 30. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | HP-5MS | 1165. | Sadeghpour, Asghari, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1165. | Hajhashemi, Ghannadi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
| Capillary | DB-1 | 1153. | Mahalwal and Ali, 2003 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 250. C |
| Capillary | DB-1 | 1125. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 90. C; Tend: 240. C |
| Capillary | HP-5 | 1170. | Yassa, Akhani, et al., 2003 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | DB-1 | 1146. | Sefidkon, Jalili, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5MS | 1155. | Cherchi, Deidda, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1 | 1153. | Mallavarapu, Rao, et al., 2000 | 25. m/0.50 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | CP Sil 5 CB | 1157. | Weyerstahl, Marschall, et al., 1999 | N2, 5. K/min; Column length: 25. m; Phase thickness: 0.39 μm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1175. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 | 1186. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 MS | 1162. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | 5 % Phenyl methylsiloxane | 1172. | Serrano, Cornu, et al., 2007 | Program: not specified |
| Capillary | 1153. | El-Shazily, Hafez, et al., 2004 | Program: not specified | |
| Capillary | CP Sil 8 CB | 1166. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | SE-30 | 1150. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 5 CB | 1152. | Weyerstahl, Marschall, et al., 1997 | N2; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | Polydimethyl siloxanes | 1150. | Zenkevich, 1997 | Program: not specified |
| Packed | OV-101 | 1153. | Swigar and Silverstein, 1981 | N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1638. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.1 μm, He, 2. K/min, 220. C @ 30. min; Tstart: 60. C |
| Capillary | FFAP | 1712. | Kitchlu, Bakshi, et al., 2006 | 20. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 90. C; Tend: 250. C |
| Capillary | DB-Wax | 1670. | Lee, Umano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
| Capillary | Supelcowax-10 | 1675. | Wong and Tan, 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | BP-20 | 1677. | Blanc, Muselli, et al., 2004 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Innowax | 1686. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | HP-Innowax | 1682. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 5. K/min; Tstart: 70. C; Tend: 190. C |
| Capillary | Supelcowax-10 | 1675. | Korány, Mednyánszky, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | BP-20 | 1660. | Mallavarapu, Rao, et al., 2000 | 25. m/0.50 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 60. C; Tend: 200. C |
| Capillary | DB-Wax | 1687. | Weyerstahl, Marschall, et al., 1999 | N2, 5. K/min; Column length: 60. m; Phase thickness: 0.25 μm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1686. | Polatoglu, Demirci, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| Capillary | HP-Innowax FSC | 1686. | Tabanca N., Demirci B., et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1677. | Kürkçüoglu, Hüsnü Can Baser, 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 | 1686. | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1686. | Tabanca, Demirci, et al., 2006 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1662. | Vinogradov, 2004 | 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.
Szabolcs, Benecke, et al., 1985
Szabolcs, N.; Benecke, R.; Thieme, H.,
Természetes eredetu növényi anyagok gázkromatográfiás retenciós tulajdonságai. I. A lavandula- és lavandinolaj fo kimponenseinek retenciós indexei,
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Benecke, Thieme, et al., 1982
Benecke, R.; Thieme, H.; Nyiredy, Sz.,
Retentionsverhalten der Hauptkomponenten der Lavendel und Lavandinöle an Verschiedenen stationären Phasen in Abhängigkeit von der Säulentemperatur,
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ter Heide, R.,
Studies on Terpenes. III. Gas Chromatography of Acyclic Monoterpene Alcohols,
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Angioni, Barra, et al., 2006
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Chemical composition, seasonal variability, and antifungal activity of Lavandula stoechas L. ssp. stoechas essential oils from stem/leaves and flowers,
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Raina, Verma, et al., 2006
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Essential oil composition of Murraya exotica from the plains of northern India,
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Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
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Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
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Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry,
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Rao, A.S.; Rajanikanth, B.; Seshadri, R.,
Volatile aroma components of Curcuma amada Roxb.,
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Wong, K.C.; Teng, Y.E.,
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Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil,
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Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
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Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands),
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Cherchi, Deidda, et al., 2001
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Weyerstahl, Marschall, et al., 1999
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Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
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Vinogradov, 2004
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Constituents of the essential oil of Achillea eriophora DC,
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Zenkevich, I.G.,
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Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
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Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss.,
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Tabanca, Demirci, et al., 2006
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. [all data]
Notes
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