Citronellol
- Formula: C10H20O
- Molecular weight: 156.2652
- IUPAC Standard InChIKey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N
- CAS Registry Number: 106-22-9
- 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: 6-Octen-1-ol, 3,7-dimethyl-; β-Citronellol; Cephrol; Rodinol; 3,7-Dimethyl-6-octen-1-ol; Elenol; Rhodinol; 2,6-Dimethyl-2-octen-8-ol; 2,3-Dihydrogeraniol; dl-Citronellol; NSC 8779; R-(+)-β-Citronellol; R-(+)-3,7-Dimethyl-6-octen-1-ol; 1335-43-9; 26489-01-0; 3,7-dimethyl-6-octen-1-ol (citronellol)
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BP-1 | BP-1 | DB-5 | SLB-5MS |
Column length (m) | 30. | 50. | 50. | 30. | 10. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.1 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.1 |
Tstart (C) | 40. | 60. | 60. | 60. | 40. |
Tend (C) | 250. | 220. | 220. | 246. | 250. |
Heat rate (K/min) | 5. | 2. | 2. | 3. | 40. |
Initial hold (min) | 1. | ||||
Final hold (min) | 10. | 20. | 20. | ||
I | 1231. | 1208. | 1207. | 1227. | 1225. |
Reference | Benzo, Gilardoni, et al., 2007 | Boti, Koukoua, et al., 2007 | Duquesnoy, Castola, et al., 2007 | Hongratanaworakit and Buchbauer, 2007 | Mondello, Sciarrone, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5MS | SLB-5MS | Equity-5 | BP-1 | HP-5MS |
Column length (m) | 10. | 10. | 60. | 50. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.1 | 0.1 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.1 | 0.1 | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 60. | 60. |
Tend (C) | 250. | 250. | 260. | 220. | 280. |
Heat rate (K/min) | 40. | 40. | 5. | 2. | 3. |
Initial hold (min) | 1. | ||||
Final hold (min) | 15. | 20. | |||
I | 1233. | 1235. | 1234. | 1208. | 1221. |
Reference | Mondello, Sciarrone, et al., 2007 | Mondello, Sciarrone, et al., 2007 | Rocha, Coelho, et al., 2007 | Gonny, Cavaleiro, et al., 2006 | Kukic J., Petrovic S., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | MDN-5 | DB-1 | DB-1 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 40. | 40. | 60. |
Tend (C) | 250. | 250. | 250. | 250. | 200. |
Heat rate (K/min) | 5. | 3. | 3. | 3. | 2. |
Initial hold (min) | 2. | ||||
Final hold (min) | 20. | 20. | 10. | ||
I | 1226. | 1224. | 1213. | 1214. | 1236. |
Reference | Su, Ho, et al., 2006 | Dugo, Mondello, et al., 2005 | Fanciullino, Gancel, et al., 2005 | Gancel, Ollitrault, et al., 2005 | Smadja, Rondeau, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-5 | HP-5 | RTX-5 | ZB-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 0. | 30. |
Carrier gas | Helium | N2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 60. | 45. | 40. | 40. |
Tend (C) | 265. | 220. | 300. | 265. | 250. |
Heat rate (K/min) | 7. | 5. | 3. | 7. | 3. |
Initial hold (min) | 10. | 6. | |||
Final hold (min) | 5. | 10. | 5. | ||
I | 1232. | 1215. | 1229. | 1238. | 1229. |
Reference | Bell, 2004 | Bertoli, Pistelli, et al., 2004 | Dugo, Mondello, et al., 2004 | Gocmen, Gurbuz, et al., 2004 | Isidorov, Krajewska, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | BP-1 | HP-5 | DB-5MS | SPB-1 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.2 |
Tstart (C) | 40. | 60. | 40. | 40. | 70. |
Tend (C) | 280. | 220. | 250. | 200. | 220. |
Heat rate (K/min) | 4. | 5. | 3. | 4. | 3. |
Initial hold (min) | 2. | 15. | 5. | ||
Final hold (min) | 13. | 40. | 20. | 15. | |
I | 1231. | 1212. | 1224. | 1237. | 1210. |
Reference | Mardarowicz, Wianowska, et al., 2004 | Raina, Kumar, et al., 2004 | Stashenko, Jaramillo, et al., 2004 | Yu, Kim, et al., 2004 | Cavaleiro, Salgueiro, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | SPB-1 | SPB-1 | DB-1 | DB-5 |
Column length (m) | 30. | 25. | 25. | 30. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 35. | 35. | 35. | 40. | 40. |
Tend (C) | 225. | 225. | 225. | 250. | 265. |
Heat rate (K/min) | 4. | 4. | 4. | 3. | 7. |
Initial hold (min) | 5. | 10. | 10. | ||
Final hold (min) | 20. | 20. | 5. | ||
I | 1212. | 1213. | 1213. | 1214. | 1233. |
Reference | Chisholm, Jell, et al., 2003 | Chisholm, Wilson, et al., 2003 | Chisholm, Wilson, et al., 2003 | Gancel, Ollitrault, et al., 2003 | Högnadóttir and Rouseff, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-1 | Mega 5MS | BP-1 | RTX-5 |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 60. | 45. |
Tend (C) | 240. | 325. | 240. | 220. | 300. |
Heat rate (K/min) | 3. | 3. | 3. | 2. | 3. |
Initial hold (min) | 2. | 6. | |||
Final hold (min) | 20. | 10. | |||
I | 1236. | 1209.0 | 1222. | 1207. | 1235. |
Reference | Shellie and Marriott, 2003 | Sun and Stremple, 2003 | Verzera, Trozzi, et al., 2003 | Lota, de Rocca Serra, et al., 2002 | Mondello, Zappia, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | DB-1 | RTX-5 MS | DB-1 | BP-1 |
Column length (m) | 24. | 50. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.32 | 0.22 |
Phase thickness (μm) | 0.17 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 70. | 40. | 60. |
Tend (C) | 250. | 220. | 210. | 240. | 220. |
Heat rate (K/min) | 4. | 2. | 4. | 7. | 2. |
Initial hold (min) | 2. | 10. | |||
Final hold (min) | 20. | 20. | 10. | 5. | |
I | 1210. | 1208. | 1220. | 1225. | 1207. |
Reference | Nath, Sarma, et al., 2002 | Pintore, Usai, et al., 2002 | Hudaib, Grazia Bellardi, et al., 2001 | Lin and Rouseff, 2001 | Lota, Serra, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | HP-5 | DB-5 | BP-1 | BP-1 |
Column length (m) | 50. | 30. | 60. | 50. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.20 | 0.25 | 0.22 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 220. | 180. | 290. | 230. | 230. |
Heat rate (K/min) | 2. | 4. | 4. | 2. | 2. |
Initial hold (min) | 8. | 2. | |||
Final hold (min) | 20. | 2. | 5. | 35. | 35. |
I | 1208. | 1224. | 1212. | 1207. | 1207. |
Reference | Rezzi, Cavaleiro, et al., 2001 | Alonzo, Bosco, et al., 2000 | Bartley and Jacobs, 2000 | Lota, de Rocca Serra, et al., 2000 | Lota, de Rocca Serra, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | Mega 5MS | Mega 5MS | DB-5MS | BP-1 |
Column length (m) | 50. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 40. | 40. | 40. | 60. |
Tend (C) | 250. | 240. | 240. | 200. | 230. |
Heat rate (K/min) | 6. | 3. | 3. | 2. | 2. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 35. | ||||
I | 1218. | 1222. | 1222. | 1225. | 1207. |
Reference | Paramonov, Khalilova, et al., 2000 | Verzera, la Rosa, et al., 2000 | Verzera, Trozzi, et al., 2000 | Chassagne, Boulanger, et al., 1999 | Lota, Serra, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | Methyl Silicone | HP-101 | OV-101 | OV-101 |
Column length (m) | 25. | 25. | 50. | 50. | 50. |
Carrier gas | He | He | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.3 | ||||
Tstart (C) | 60. | 40. | 70. | 80. | 80. |
Tend (C) | 260. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 5. | 2. | 3. | 2. | 2. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1212. | 1215. | 1229. | 1209. | 1209. |
Reference | Weyerstahl, Marschall, et al., 1999 | Píry, Príbela, et al., 1995 | Chung, Eiserich, et al., 1993 | Yang, Sugisawa, et al., 1992 | Yang, Sugisawa, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | OV-101 | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 30. | 30. | 50. | 26. | 26. |
Carrier gas | H2 | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1.25 | 1.25 | |||
Tstart (C) | 50. | 50. | 50. | 100. | 100. |
Tend (C) | 300. | 300. | 200. | 250. | 250. |
Heat rate (K/min) | 2. | 2. | 2. | 10. | 10. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1211.7 | 1214.4 | 1208. | 1206. | 1211. |
Reference | Chang, Sheng, et al., 1989 | Chang, Sheng, et al., 1989 | Pieribattesti, Smadja, et al., 1988 | Halket and Schulten, 1985 | Halket and Schulten, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Benzo, Gilardoni, et al., 2007
Benzo, M.; Gilardoni, G.; Gandini, C.; Caccialanza, G.; Finzi, P.V.; Vidari, G.; Abdo, S.; Layedra, P.,
Determination of the threshold odor concentration of main odorants in essential oils using gas chromatography-olfactometry incremental dilution technique,
J. Chromatogr. A, 2007, 1150, 1-2, 131-135, https://doi.org/10.1016/j.chroma.2007.02.031
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Boti, Koukoua, et al., 2007
Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire,
Flavour Fragr. J., 2007, 22, 1, 27-31, https://doi.org/10.1002/ffj.1743
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Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J.,
Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
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Hongratanaworakit and Buchbauer, 2007
Hongratanaworakit, T.; Buchbauer, G.,
Chemical composition and stimulating effect of Citrus hystrix oil on humans,
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Mondello, Sciarrone, et al., 2007
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Fast gas chromatography-full scan quadrupole mass spectrometry for the determination of allergens in fragrances,
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Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
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Kukic J., Petrovic S., et al., 2006
Kukic J.; Petrovic S.; Pavlovic M.; Couladis M.; Tzakou O.; Niketic M.,
Composition of essential oil of Stachys alpina L. ssp dinarica Murb.,
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Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T.,
Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts,
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Dugo, P.; Mondello, L.; Favoino, O.; Cicero, L.; Rodriguez Zenteno, N.A.; Dugo, G.,
Characterization of cold-pressed Mexican dancy tangerine oils,
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Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
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Smadja, Rondeau, et al., 2005
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Volatile constituents of five Citrus Petitgrain essential oils from Reunion,
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Bertoli, A.; Pistelli, L.; Morelli, I.; Fraternale, D.; Giamperi, L.; Ricci, D.,
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Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T.,
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Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F.,
Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana,
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Isidorov, Krajewska, et al., 2004
Isidorov, V.A.; Krajewska, U.; Vinogorova, V.T.; Vetchinnikova, L.V.; Fuksman, I.L.; Bal, K.,
Gas chromatographic analysis of essential oil from buds of different birch species with preliminary partition of components,
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Mardarowicz, M.; Wianowska, D.; Dawidowicz, A.L.; Sawicki, R.,
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Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P.,
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Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Analysis of volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) by different extraction and headspace methods and gas chromatography,
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Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J.,
Characterization of aroma-active compounds of Abies nephrolepis (Khingan fir) needles using aroma extract dilution analysis,
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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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Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr.,
Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188
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Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.,
Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle),
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Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
J. Agric. Food Chem., 2003, 51, 20, 6006-6013, https://doi.org/10.1021/jf0345090
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Högnadóttir and Rouseff, 2003
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Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
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