2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChIKey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
- CAS Registry Number: 4602-84-0
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Farnesol; Farnesyl alcohol; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol; 3,7,11-Trimethyl-2,6,10-dodecatrienol; Stirrup-A/WF; Stirrup-CRW; Stirrup-H; Stirrup-HB; Stirrup-TPW; 3,7,11,-Trimethyldodeca-2,6,10-trien-1-ol; FCI 119a; NSC 60597; Trimethyl-2,6,10-dodecatriene-1-ol; (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol; α-farnesol; β-farnesol; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol (farnesol)
- Information on this page:
- Other data available:
- Options:
Phase change data
Go To: Top, IR Spectrum, Gas Chromatography, 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference |
---|---|---|
422.2 | 0.005 | Aldrich Chemical Company Inc., 1990 |
IR Spectrum
Go To: Top, Phase change data, Gas Chromatography, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, 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 | SE-30 | 100. | 1678.7 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Capillary | SE-30 | 100. | 1703.5 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Capillary | SE-30 | 100. | 1682.5 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Capillary | SF-96 | 200. | 1655. | Sakai, Maarse, et al., 1967 | Column length: 152. m; Column diameter: 0.8 mm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 1711. | Srivastava, Srivastava, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C |
Capillary | DB-5 | 1713. | Morteza-Semnani, Azadbakht, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 220. C |
Capillary | HP-5MS | 1695. | Baranauskiene, Venskutonis, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 4. K/min, 280. C @ 10. min |
Capillary | BPX-5 | 1722. | Fournier, Hadjiakhoondi, et al., 1997 | 50. m/0.22 mm/0.25 μm, N2, 60. C @ 10. min, 2. K/min; Tend: 185. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1658. | Sonboli, Azizian, et al., 2007 | 60. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
Capillary | HP-5 | 1740. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
Capillary | SPB-1 | 1695. | Cavaleiro, Salgueiro, et al., 2003 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
Capillary | HP-101 | 1728. | Milos and Radonic, 2000 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-5 | 1712. | Gómez, Ledbetter, et al., 1993 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 1693. | Pieribattesti, Smadja, et al., 1988 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1724.1 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | SE-52 | 1721. | Lorenzo, Dellacassa, et al., 2000 | 25. m/0.25 mm/0.25 μm, He; Program: 60C(8min) => 3C/min => 180C => 20C/min => 230C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2378. | Osorio, Alarcon, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
Capillary | ZB-Wax | 2354. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
Capillary | DB-Wax | 2351. | Chyau, Ko, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 210. C @ 40. min; Tstart: 40. C |
Capillary | Supelcowax-10 | 2352. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 2372. | Claudela, Dirningera, et al., 2002 | 60. m/0.32 mm/0.5 μm, He, 2.7 K/min, 235. C @ 30. min; Tstart: 67. C |
Capillary | Supelcowax-10 | 2352. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2350. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1707. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
Capillary | DB-5 | 1722. | Shafaghat and Sadeghi, 2009 | 50. m/0.20 mm/0.32 μm, Nitrogen, 60. C @ 3. min, 5. K/min, 220. C @ 5. min |
Capillary | BPX-5 | 1702. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 100. C; Tend: 999. C |
Capillary | BPX-5 | 1701. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
Capillary | BPX-5 | 1702. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
Capillary | BPX-5 | 1704. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
Capillary | BPX-5 | 1704. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
Capillary | BPX-5 | 1706. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 60. C; Tend: 999. C |
Capillary | HP-5 | 1749. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
Capillary | Equity-5 MS | 1716. | Mondello, Casilli, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 1.5 K/min; Tstart: 40. C; Tend: 260. C |
Capillary | RTX-5 MS | 1713. | Edris, Chizzola, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 200. C @ 10. min |
Capillary | DB-5 | 1690. | El-Ghorab A., El-Massry K.F., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 40. min; Tstart: 35. C |
Capillary | HP-1 | 1699. | Hachicha, Skanji, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 20. min; Tstart: 60. C |
Capillary | HP-101 | 1664. | Jerkovic, Mastelic, et al., 2007 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min; Tend: 200. C |
Capillary | BP-1 | 1699. | Kiran, Bhavani, et al., 2006 | Helium, 5. K/min, 220. C @ 6. min; Tstart: 60. C |
Capillary | NB-30 | 1653. | Orav, Raal, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 1710. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
Capillary | DB-5 | 1711. | Trilles, Bombarda, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-1 | 1673. | 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 | Methyl Silicone | 1745. | Ricci, Fraternale, et al., 2005 | 12.5 m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 270. C |
Capillary | NB-30 | 1661. | Orav, Stulova, et al., 2004 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | NB-30 | 1667. | Orav, Stulova, et al., 2004 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | NB-30 | 1660. | Orav, Stulova, et al., 2004 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | NB-30 | 1667. | Orav, Stulova, et al., 2004 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | NB-30 | 1653. | Raal, Arak, et al., 2004 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | NB-30 | 1700. | Raal, Paaver, et al., 2004 | 50. m/0.20 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 1653. | Sarkhail, Amin, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
Capillary | DB-1 | 1682. | Fekam Boyom, Ngouana, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | SPB-5 | 1725. | Ledauphin, Guichard, et al., 2003 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 220. C @ 20. min |
Capillary | OV-101 | 1652. | Orav, Kailas, et al., 2003 | 50. m/0.2 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | HP-5 | 1740. | Stashenko, Jaramillo, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; Tend: 250. C |
Capillary | HP-5 | 1747. | Benevides, Young, et al., 2002 | 30. m/0.20 mm/0.33 μm, 3. K/min, 290. C @ 10. min; Tstart: 60. C |
Capillary | RSL-200 | 1699. | Jirovetz L., Buchbauer G., et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Capillary | OV-101 | 1654. | Orav and Kann, 2001 | He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C; Tend: 250. C |
Capillary | SPB-5 | 1680. | Kim, Kim, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 70. C @ 8. min, 5. K/min, 240. C @ 20. min |
Capillary | BP-1 | 1664. | Mallavarapu, Kulkarni, et al., 1999 | 25. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
Capillary | OV-1 | 1676. | Kökdil, Kurucu, et al., 1998 | 50. m/0.32 mm/0.25 μm, He, 50. C @ 5. min, 10. K/min, 250. C @ 20. min |
Capillary | OV-101 | 1698. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1698. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1698. | Sugisawa, Yamamoto, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1740. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | ZB-1 MS | 1710. | Bajpai, Al-Reza, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C |
Capillary | HP-1 | 1698. | Barra, Baldovini, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
Capillary | SPB-1 | 1682. | Borse, Rao, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (2 min) 1 0C/min -> 90 0C 3 0C/min -> 220 0C |
Capillary | HP-5 | 1721. | Dou, Li, et al., 2007 | 30. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min) |
Capillary | HP-5 MS | 1747. | Pyun and Shin, 2006 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 2 0C/min -> 150 0C 20 0C/min -> 220 0C (5 min) |
Capillary | CP Sil 8 CB | 1746. | Nivinskienë, Butkienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2364. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min |
Capillary | HP-Innowax | 2351. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
Capillary | HP-Innowax | 2356. | Hachicha, Skanji, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 20. min; Tstart: 60. C |
Capillary | DB-Wax | 2345. | Culleré, Escudero, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 2387. | Culleré, Escudero, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 2382. | López, Ezpeleta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C |
Capillary | Supelcowax-10 | 2347. | Orav, Stulova, et al., 2004 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C |
Capillary | Supelcowax-10 | 2348. | Orav, Stulova, et al., 2004 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C |
Capillary | Stabilwax | 2321. | Jirovetz L., Buchbauer G., et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 60. C @ 5. min, 10. K/min, 280. C @ 5. min |
Capillary | DB-Wax | 2361. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 230. C |
Capillary | DB-Wax | 2323. | Parada, Duque, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 2337. | Parada, Duque, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | BP-20 | 2366. | Dunlop, Bignell, et al., 1999 | 25. m/0.33 mm/0.5 μm, 5. K/min; Tstart: 80. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2350. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 2356. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 2350. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Nukol | 2340. | López and Dufour, 2001 | N2; Column length: 25. m; Column diameter: 0.25 mm; Program: 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) |
Capillary | DB-Wax | 2350. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax 10 | 2337. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
Capillary | Supelcowax 10 | 2318. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax 10 | 2346. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
References
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
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Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
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Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
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The essential oils composition of Phlomis herba-venti L. leaves and flowers of Iranian origin,
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Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries,
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Sonboli, A.; Azizian, D.; Yousefzadi, M.; Kanani, M.R.; Mehrabian, A.R.,
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Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
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Cavaleiro, Salgueiro, et al., 2003
Cavaleiro, C.; Salgueiro, L.R.; da Cunha, A.P.; Figueiredo, A.C.; Barroso, J.G.; Bighelli, A.; Casanova, J.,
Composition and variability of the essential oils of the leaves and berries from Juniperus navicularis,
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Milos, M.; Radonic, A.,
Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia,
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Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L.,
Volatile compounds in apricot, plum, and their interspecific hybrids,
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Notes
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