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, custom temperature program
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-5MS | VF-5MS | BPX-5 | SLB-5MS | VF-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | Multi-step temperature program; T(initial)=60C; T(final)=270C | 35C => 4C/min => 200C => 30C/min => 300C (3min) | not specified | Multi-step temperature program; T(initial)=60C; T(final)=270C |
I | 1228.5 | 1232.9 | 1237. | 1232. | 1229.3 |
Reference | Andriamaharavo, 2014 | Tret'yakov, 2008 | Dharmawan, Kasapis, et al., 2007 | Mondello, Sciarrone, et al., 2007 | Tret'yakov, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | 5 % Phenyl methyl siloxane | DB-5 | SE-52 | SE-52 |
Column length (m) | 30. | 30. | 30. | 25. | 25. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.15 | 1. | 0.43 | 0.25 |
Program | 50C => 1.5C/min => 230C => 15C/min => 260C | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min) | 60C(8min) => 3C/min => 180C => 20C/min => 230C |
I | 1238. | 1226. | 1237. | 1229. | 1228. |
Reference | Mondello, Casilli, et al., 2005 | Sacchetti, Maietti, et al., 2005 | Wang, Finn, et al., 2005 | Frizzo, Lorenzo, et al., 2004 | Lorenzo, Loayza, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | SE-52 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 25. | 30. | 30. | 30. |
Carrier gas | H2/N2 | He | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) | 60C(8min) => 3C/min => 180C => 20C/min => 230C | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
I | 1228. | 1231. | 1223. | 1228. | 1221. |
Reference | Boulanger and Crouzet, 2000 | Lorenzo, Dellacassa, et al., 2000 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | SE-54 | SE-54 | SE-52 |
Column length (m) | 30. | 30. | 30. | 60. |
Carrier gas | H2 | He | He | He |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.40 |
Program | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (5min) | 35 0C 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 230 0C | 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
I | 1223. | 1231. | 1231. | 1224. |
Reference | Boulanger, Chassagne, et al., 1999 | Tairu, Hofmann, et al., 1999 | Tairu, Hofmann, et al., 1999, 2 | Mondello, Dugo, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Dharmawan, Kasapis, et al., 2007
Dharmawan, J.; Kasapis, S.; Curran, P.; Johnson, J.R.,
Characterization of volatile compounds in selected citrus fruits from Asia. Part I: freshly-squeezed juice,
Flavour Fragr. J., 2007, 22, 3, 228-232, https://doi.org/10.1002/ffj.1790
. [all data]
Mondello, Sciarrone, et al., 2007
Mondello, L.; Sciarrone, D.; Casilli, A.; Tranchida, P.Q.; Dugo, P.; Dugo, G.,
Fast gas chromatography-full scan quadrupole mass spectrometry for the determination of allergens in fragrances,
J. Sep. Sci., 2007, 30, 12, 1905-1911, https://doi.org/10.1002/jssc.200600541
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Mondello, Casilli, et al., 2005
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Dugo, G.; Dugo, P.,
Comprehensive two-dimensional gas chromatography in combination with rapid scanning quadrupole mass spectrometry in perfume analysis,
J. Chromatogr. A, 2005, 1067, 1-2, 235-243, https://doi.org/10.1016/j.chroma.2004.09.040
. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
. [all data]
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [all data]
Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E.,
Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil,
J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x
. [all data]
Lorenzo, Loayza, et al., 2003
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition of the essential oils from leaves of two Hedyosmum spp. from Bolivia,
Flavour Fragr. J., 2003, 18, 1, 32-35, https://doi.org/10.1002/ffj.1146
. [all data]
Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu,
Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6
. [all data]
Lorenzo, Dellacassa, et al., 2000
Lorenzo, D.; Dellacassa, E.; Atti-Serafini, L.; Santos, A.C.; Frizzo, C.; Paroul, N.; Moyna, P.; Mondello, L.; Dugo, G.,
Composition and stereoanalysis of Cymbopogon winterianus Jowitt oil from Southern Brazil,
Flavour Fragr. J., 2000, 15, 3, 177-181, https://doi.org/10.1002/1099-1026(200005/06)15:3<177::AID-FFJ887>3.0.CO;2-M
. [all data]
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Tairu, Hofmann, et al., 1999
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Characterization of the key aroma compounds in dried fruits of the West African peppertree Xylopia aethiopica (Dunal) A. Rich (Annonaceae) using aroma extract dilution analysis,
J. Agric. Food Chem., 1999, 47, 8, 3285-3287, https://doi.org/10.1021/jf990228+
. [all data]
Tairu, Hofmann, et al., 1999, 2
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Identification of the key aroma compounds in dried fruits of Xylopia aethiopica
in Perspectives on new crops and new users, Janick, J., ed(s)., ASHS Press, Alexandria, VA, USA, 1999, 474-478. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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