Geranyl formate
- Formula: C11H18O2
- Molecular weight: 182.2594
- IUPAC Standard InChI: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
- IUPAC Standard InChIKey: FQMZVFJYMPNUCT-YRNVUSSQSA-N
- CAS Registry Number: 105-86-2
- 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: 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (E)-; Geraniol formate; trans-3,7-Dimethyl-2,6-octadien-1-ol formate; trans-3,7-Dimethyl-2,6-octadien-1-yl formate; Formic acid, geraniol ester; Formic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; (2E)-3,7-Dimethyl-2,6-octadienyl formate; (E)-3,7-Dimethyl-2,6-octadien-1-ol formate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2E)-; NSC 21736; 3,7-Dimethyl-trans-2,6-octadienyl formate
- 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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IR Spectrum
Go To: Top, 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 | Sadtler Research Labs Under US-EPA Contract |
| State | gas |
Gas Chromatography
Go To: Top, 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 | 120. | 1282. | Tudor and Moldovan, 1999 | |
| Capillary | SE-30 | 100. | 1281.6 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
| Packed | Apiezon L | 150. | 1234. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1305. | Jalali-Heravi, Zekavat, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min |
| Capillary | SPB-5 | 1302. | Gauvin, Lecomte, et al., 2004 | 60. m/0.32 mm/1. μm, He, 4. K/min, 200. C @ 30. min; Tstart: 60. C |
| Capillary | DB-5 | 1322. | Baranauskiene, Venskutonis, et al., 2003 | 50. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 280. C @ 10. min |
| Capillary | BP-1 | 1278. | Raina, Srivastava, et al., 2002 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | Cross-Linked Methylsilicone | 1284. | Rajeswara Rao, Kaul, et al., 2002 | 50. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | BP-1 | 1284. | Rajeswara Rao, 2002 | 25. m/0.5 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
| Capillary | BP-1 | 1284. | Rao B.R.R., 2002 | 25. m/0.5 mm/0.25 μm, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
| Capillary | BP-1 | 1283. | Jain, Aggarwal, et al., 2001 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | BP-1 | 1284. | Rao, Kaul, et al., 2000 | N2, 5. K/min, 220. C @ 10. min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C |
| Capillary | BP-1 | 1284. | Rao, Sastry, et al., 2000 | 25. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
| Capillary | BP-1 | 1283. | Kulkarni, Mallavarapu, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | Methyl Silicone | 1284. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1282. | Khan, Srivastava, et al., 2003 | 25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) |
| Capillary | BP-1 | 1285. | Raina, Srivastava, et al., 2003 | 25. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
| Capillary | HP-5 | 1300. | Shellie and Marriott, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | BP-1 | 1282. | Khan, Srivastava, et al., 2002 | 30. m/0.32 mm/0.25 μm, N2; Program: 60 C 5 C/min -> 220 C (5 min) 3 C/min -> 245 C (5 min) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 150. | 1727. | Tudor, Moldovan, et al., 1999 | Phase thickness: 0.45 μm |
| Packed | Carbowax 20M | 150. | 1717. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Wax | 1721. | 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 | Carbowax 20M | 1698. | Kulkarni, Mallavarapu, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 200. C |
| Capillary | Carbowax 20M | 1688. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Equity-5 | 1312. | Rocha, Coelho, et al., 2007 | 60. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min, 260. C @ 15. min |
| Capillary | RSL-200 | 1292. | Ngassoum, Ousmaila, et al., 2004 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | BP-1 | 1290. | Raina, Kumar, et al., 2004 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | DB-5 | 1298. | bin Jantan, Yassin, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min; Tend: 230. C |
| Capillary | RTX-5 | 1304. | Mondello, Zappia, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min |
| Capillary | HP-5 | 1300. | Pitarokili, Couladis, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | SE-30 | 1298. | bin Jantan, Basni, et al., 2001 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | CP Sil 5 CB | 1284. | Weyerstahl, Marschall, et al., 1999 | He, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
| Capillary | OV-101 | 1277. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1279. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | DB-1 | 1278.9 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-1 | 1281.0 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-1 | 1281.0 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-1 | 1281.4 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1298. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1686. | Mondello, Zappia, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 250. C @ 10. min |
| Capillary | DB-Wax | 1703. | Möllenbeck, König, et al., 1997 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1309. | Boukhris, Bouaziz, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 100. C @ 1. min, 10. K/min, 260. C @ 10. min |
| Capillary | HP-5 MS | 1329. | Sandoval-Montemayor, Garcia, et al., 2012 | 25. m/0.20 mm/0.30 μm, Helium, 40. C @ 2. min, 10. K/min, 260. C @ 20. min |
| Capillary | DB-1 | 1280. | Safaei-Ghomi, Meshkatalsadat, et al., 2010 | 60. m/0.25 mm/0.25 μm, Nitrogen, 60. C @ 1. min, 4. K/min, 250. C @ 10. min |
| Capillary | OV-1 | 1290. | Nibret and Wink, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 300. C @ 10. min |
| Capillary | DB-5 | 1281. | Rahmi-Nasrabadi, Gholivand, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 1. min, 3. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1298. | Scrivanti, Anton, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C |
| Capillary | DB-5 | 1296. | Javidnia, Miri, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | FSOT-RSL-200 | 1299. | Jirovetz, Eller, et al., 2006 | 30. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | CP-Sil 5 CB | 1284. | Olawore, Usman, et al., 2006 | 25. m/0.25 mm/0.15 μm, Hydrogen, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-5 | 1301. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | BP-1 | 1282. | Gupta, Mallavarapu, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | SPB-1 | 1280. | Kamath, Asha, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 180. C @ 1. min |
| Capillary | HP-101 | 1280. | Demarne and van der Walt, 1993 | 50. m/0.32 mm/0.3 μm, H2, 65. C @ 5. min, 2. K/min; Tend: 300. C |
| Capillary | OV-101 | 1277. | 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 | 1279. | Tamura, Yang, et al., 1993 | 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 | HP-5 | 1283. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
| Capillary | HP-5 | 1300. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | SPB-5 | 1300. | Navickiene, Morandim, et al., 2006 | 30. m/0.25 mm/0.10 μm, Helium; Program: 40 0C (1 min) 10 0C/min -> 120 0C 0.5 0C/min -> 150 0C 20 0C/min -> 280 0C (5 min) |
| Capillary | SE-30 | 1282. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 5 CB | 1282. | Weyerstahl, Marschall, et al., 1999, 2 | 25. m/0.25 mm/0.39 μm, N2; Program: not specified |
| Capillary | OV-101 | 1282. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1691. | Cai, Lin, et al., 2006 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 2. min, 3. K/min, 230. C @ 20. min |
| Capillary | Carbowax 20M | 1684. | Babu and Kaul, 2005 | 60. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 10. K/min, 190. C @ 15. min |
| Capillary | PE-Wax | 1695. | Ram, Kumar, et al., 2005 | 50. m/0.32 mm/0.25 μm, H2, 4. K/min, 220. C @ 2. min; Tstart: 60. C |
| Capillary | HP-20M | 1665. | Mastelic and Jerkovic, 2003 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
| Capillary | DB-Wax | 1681. | Tu, Onishi, et al., 2002 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1709. | Tu, Thanh, et al., 2002 | 60. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelco CO Wax-10 | 1710. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) |
| Capillary | Carbowax 20M | 1684. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-Innowax FSC | 1718. | 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 | Carbowax 20M | 1684. | Shibamoto, 1987 | Program: not specified |
References
Go To: Top, 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.
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4
. [all data]
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
ter Heide, 1968
ter Heide, R.,
Studies on terpenes. II. Characterization of monoterpene esters by gas and thin-layer chromatography,
Z. Anal. Chem., 1968, 236, 215-227. [all data]
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
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Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
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Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
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Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
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Rajeswara Rao, Kaul, et al., 2002
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S.,
Water soluble fractions of rose scented geranium (Pelargonium species) essential oil,
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Rajeswara Rao, 2002
Rajeswara Rao, B.R.,
Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes),
Ind. Crops Prod., 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9
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Rao B.R.R., 2002
Rao B.R.R.,
Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes),
Industrial Crops and Products, 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9
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Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S.,
Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India,
Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X
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Rao, Kaul, et al., 2000
Rao, B.R.R.; Kaul, P.N.; Mallavarapu, G.R.; Ramesh, S.,
First observation of little leaf disease and its impact on the yield and composition of the essential oil of rose-scented geranium (Pelargonium sp.),
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Rao, Sastry, et al., 2000
Rao, B.R.R.; Sastry, K.P.; Saleem, S.M.; Rao, E.V.S.P.; Syamasundar, K.V.; Ramesh, S.,
Volatile flower oils of three genotypes of rose-scented geranium (Pelargonium sp.),
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Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
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Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
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Khan, Srivastava, et al., 2003
Khan, M.; Srivastava, S.K.; Jain, N.; Syamasundar, K.V.; Yadav, A.K.,
Chemical composition of fruit and stem essential oils of Lantana camara from northern India,
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Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasunder, K.V.; Khanuja, S.P.S.,
Essential oil composition of Cymbopogon martinii from different places in India,
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Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
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Khan, Srivastava, et al., 2002
Khan, M.; Srivastava, S.K.; Syamasundar, K.V.; Singh, M.; Naqvi, A.A.,
Chemical composition of leaf and flower essential oil of Lantana camara from India,
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Tudor, Moldovan, et al., 1999
Tudor, E.; Moldovan, D.; Zârna, N.,
Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2,
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Notes
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