α-Phellandrene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: OGLDWXZKYODSOB-UHFFFAOYSA-N
- CAS Registry Number: 99-83-2
- 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: 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-; α-Fellandrene; p-Mentha-1,5-diene; 5-Isopropyl-2-methyl-1,3-cyclohexadiene; 2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene; 4-Isopropyl-1-methyl-1,5-cyclohexadiene; 2-Methyl-5-isopropyl-1,3-cyclohexadiene; alpha-Phellandrene; 5-Isopropyl-2-methyl-cyclohexa-1,3-diene; Menthadiene; Phellandrene; L-Phellandrene; 5-isopropyl-2-methylcyclohexa-1,3-diene (α-phellandrene); (-)-α-phellandrene; α-phellanderene
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Normal alkane RI, 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 | PEG-20M Innowax | DB-Wax | DB-Wax | Innowax FSC | Innowax FSC |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | Nitrogen | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.25 | 0.25 |
Program | 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
I | 1172. | 1161. | 1195. | 1176. | 1176. |
Reference | Wang, Tian, et al., 2013 | Gyawali and Kim, 2012 | Miyazaki, Plotto, et al., 2011 | Polatoglu, Demirci, et al., 2010 | Baser, Demirci, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP Innowax FSP | Innowax | CP-Wax 52 CB | Carbowax 20M | HP Innowax FSP |
Column length (m) | 60. | 30. | 50. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.29 | 0.25 | 0.25 |
Program | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) | not specified | 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1176. | 1168. | 1140. | 1177. | 1176. |
Reference | Wedge, Klun, et al., 2009 | Aicha, Ines, et al., 2008 | Kaack and Christensen, 2008 | Hudaib and Aburjai, 2007 | Tabanca N., Demirci B., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | HP-Innowax FSC | Carbowax 20M | HP-Innowax FSC | Innowax FSC |
Column length (m) | 60. | 60. | 25. | 60. | 60. |
Carrier gas | He | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 40C(8min) => 3C/min => 180C => 20C/min => 230C (10min) | 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1176. | 1176. | 1161. | 1176. | 1176. |
Reference | Baser K.H.C., Ozek G., et al., 2006 | Erdurak, Coskun, et al., 2006 | Lorenzo, Loayza, et al., 2006 | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | Kosar, Özek, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC |
Column length (m) | 60. | 60. | 60. | ||
Carrier gas | N2 | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1157. | 1201. | 1176. | 1176. | 1176. |
Reference | Pala-Paul, Perez-Alonso, et al., 2005 | Pala-Paul, Perez-Alonso, et al., 2005 | Viljoen, Subramoney, et al., 2005 | Kivcak, Akay, et al., 2004 | Kivcak, Akay, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | HP-Innowax FSC | HP-Innowax FSC | HP Innowax FSP | Innowax FSC |
Column length (m) | 60. | 60. | 60. | 60. | |
Carrier gas | He | N2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1177. | 1176. | 1176. | 1176. | 1176. |
Reference | Vinogradov, 2004 | Demirci, Demirci, et al., 2003 | Kaya, Demirci, et al., 2003 | Tasdemir, Demirci, et al., 2003 | Baser, Demirei, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | HP-Innowax | Carbowax 20M | HP-Innowax FSC | Innowax |
Column length (m) | 30. | 60. | 60. | 60. | |
Carrier gas | H2 | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | |
Program | 40C (8min) => 3C/min => 180C => 20C/min => 240C | 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
I | 1174. | 1176. | 1175. | 1176. | 1176. |
Reference | Paroul, Rota, et al., 2002 | Baser, Demirci, et al., 2001 | Gallori, Bilia, et al., 2001 | Kirimer N., Tabanea N., et al., 2001 | Özcan, Akgül, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | HP-Innowax FSC | HP-Wax | Innowax | Innowax FSC |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
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(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 50 0C 3 K/min -> 200 0C 8 K/min -> 280 0C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1176. | 1176. | 1170. | 1176. | 1176. |
Reference | Saglam, Gozler, et al., 2001 | Tabanca, Kirimer, et al., 2001 | Usubillaga, Aparicio, et al., 2001 | Baser, Özek, et al., 2000 | Kirimer, Tabanca, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | Carbowax 20M | NB-351 | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 60. | 25. | ||
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | ||
Program | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | not specified | 35C(5min) => 2.5C/min => 150C => 5C/min => 240C (20min) | not specified | not specified |
I | 1176. | 1177. | 1166. | 1177. | 1177. |
Reference | Kirimer, Tabanca, et al., 1999 | Tirado, Stashenko, et al., 1995 | Kerrola and Kallio, 1994 | Chanegriha and Baaliouamer, 1993 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Polyethylene Glycol |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1177. |
Reference | MacLeod and Pieris, 1981 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Wang, Tian, et al., 2013
Wang, G.-J.; Tian, L.; Fan, Y.-M.; Qi, M.-L.,
Headspace single drop microextraction gas chromatography mass spectrometry for the analysis of volatile compounds from herba Asari,
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Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey,
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Demirci, Demirci, et al., 2003
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Composition of the essential oil of Cotinus coggygria Scop. from Turkey,
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Kaya, A.; Demirci, B.; Baser, K.H.C.,
The essential oil of Seseli tortuosum L. growing in Turkey,
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Baser, Demirei, et al., 2002
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Micro-distilled volatile compounds from Ferulago species growing in Western Turkey,
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Paroul, Rota, et al., 2002
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Chemical composition of the volatiles of Angelica root obtained by hydrodistillation and supercritical CO2 extraction,
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Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N.,
Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone,
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Gallori, Bilia, et al., 2001
Gallori, S.; Bilia, A.R.; Mulinacci, N.; Bicchi, C.; Rubiolo, P.; Vincieri, F.F.,
Identification of volatile constituents of Tambourissa leptophylla,
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Kirimer N., Tabanea N., et al., 2001
Kirimer N.; Tabanea N.; Demirci B.; Baser K.H.C.; Duman H.; Aytac Z.,
The essential oil of a new Sideritis species: Sideritis ozturkii Aytac and Aksoy,
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Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
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Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C.,
Volatile compounds from Haplophyllum myrtifolium,
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Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Can Baser, K.H.,
The composition of essential oils from two varieties of Sideritis erythrantha var. erythrantha and var. cedretorum,
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Usubillaga, Aparicio, et al., 2001
Usubillaga, A.; Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N.,
Volatile constituents from the leaves of four Libanothamus species from the Venezuelan Andes,
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Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey,
Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L
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Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
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Kirimer, Tabanca, et al., 1999
Kirimer, N.; Tabanca, N.; Ozek, T.; Basher, K.H.C.; Tumen, G.,
Composition of essential oils from two endemic Sideritis species of Turkey,
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Tirado, Stashenko, et al., 1995
Tirado, C.B.; Stashenko, E.E.; Combariza, M.Y.; Martinez, J.R.,
Comparative study of Colombian citrus oils by high-resolution gas chromatography and gas chromatography-mass spectrometry,
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Kerrola and Kallio, 1994
Kerrola, K.M.; Kallio, H.P.,
Extraction of volatile compounds of angelica (Angelica archangelica L.) root by liquid carbon dioxide,
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Chanegriha and Baaliouamer, 1993
Chanegriha, N.; Baaliouamer, A.,
Evaluation of series-coupled gas chromatographic capillaries of different polarities. Application to the resolution of problem pairs of constituents in Algerian cypress essential oil,
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Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
MacLeod and Pieris, 1981
MacLeod, A.J.; Pieris, N.M.,
Volatile flavor components of beli fruit (Aegle marmelos) and a processed product,
J. Agric. Food Chem., 1981, 29, 6, 1262-1264, https://doi.org/10.1021/jf00108a040
. [all data]
Notes
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