1,3,7-Octatriene, 3,7-dimethyl-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: XJPBRODHZKDRCB-CSKARUKUSA-N
- CAS Registry Number: 502-99-8
- 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: α-Ocimene; Ocimene; 2,6-Dimethyl-1,5,7-octatriene; (3E)-3,7-Dimethyl-1,3,7-octatriene; 3,7-Dimethylocta-1,3,7-triene; alpha-Ocimene; 3,7-Dimethyl-1,3,7-octatriene; (Z)-α-Ocimene; 1,3,7-Octatrienene,3,7-dimethyl-
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- Other data available:
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Normal alkane 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 | DB-5 | HP-5MS | CBP-5 | HP-5MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | 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 | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C | 60C(2min) => 3C/min => 240C => 10C/min => 300C | 40C(3min) => 8C/min => 160C => 15C/min => 300C (10min) | 40C(3min) => 8C/min => 160C => 15C/min => 300C |
I | 1049. | 1044. | 1029. | 1050. | 1041. |
Reference | Courtois, Paine, et al., 2009 | Ning, Zheng, et al., 2008 | Cheriti, Saad, et al., 2007 | Liu, Song, et al., 2007 | Mu, Wang, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-1 | HP-5MS | CP-Sil5 CB MS | HP-5MS |
Column length (m) | 30. | 30. | 50. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 1.2 | 0.25 | ||
Program | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 35C => 4C/min => 180C => 10C/min => 250C | 50C => 8C/min => 200C => 10C/min => 270C (5min) | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | 60C => 10C/min => 160C => 12C/min => 300C (5min) |
I | 1043. | 1026. | 1051. | 1031. | 1041. |
Reference | Splivallo, Bossi, et al., 2007 | de Lima, Maia, et al., 2006 | Deng, Yao, et al., 2005 | Iraqi, Vermeulen, et al., 2005 | Deng, Li, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MDN-5 | HP-5 | HP-5 | DB-5 | OV-101 |
Column length (m) | 30. | 30. | 30. | 50. | |
Carrier gas | Helium | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 30 0C (1 min) ballistically -> 60 0C 2 0C/min -> 120 0C 5 0C/min -> 280 0C (5 min) | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C | not specified | not specified | not specified |
I | 1050. | 1056. | 1043. | 1042. | 1038. |
Reference | Moretti, Madonia, et al., 2004 | Jordán, Margaría, et al., 2003 | Jordán, Goodner, et al., 2002 | Petrakis, Tsitsimpikou, et al., 2001 | Yang, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-5 | DB-5 | SF96+Igepal |
Column length (m) | 30. | 30. | 152. |
Carrier gas | |||
Substrate | |||
Column diameter (mm) | 0.32 | 0.32 | 0.76 |
Phase thickness (μm) | 1. | 1. | |
Program | 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) | 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) | 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
I | 1033. | 1037. | 1044. |
Reference | Storer, Elmore, et al., 1993 | Storer, Elmore, et al., 1993 | Flath, Altieri, et al., 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Ning, Zheng, et al., 2008
Ning, H.; Zheng, F.; Sun, B.; Xie, J.; Liu, Y.,
Solvent-free microwave extraction of essential oil from Zanthoxylum bungeanum Maxim.,
Food Environ. Ind. (Chinese), 2008, 34, 5, 179-184. [all data]
Cheriti, Saad, et al., 2007
Cheriti, A.; Saad, A.; Belboukhari, N.; Ghezali, S.,
The essential oil composition of Bubonium graveolens (Forssk.) Maire from the algerian Sahara,
Flavour Fragr. J., 2007, 22, 4, 286-288, https://doi.org/10.1002/ffj.1794
. [all data]
Liu, Song, et al., 2007
Liu, L.; Song, G.; Hu, Y.,
GC?MS Analysis of the Essential Oils of Piper nigrum L. and Piper longum L.,
Chromatographia, 2007, 66, 9-10, 785-790, https://doi.org/10.1365/s10337-007-0408-2
. [all data]
Mu, Wang, et al., 2007
Mu, R.; Wang, X.; Liu, S.; Yuan, X.; Wang, S.; Fan, Z.,
Rapid Determination of Volatile Compounds in Toona sinensis (A. Juss.) Roem. by MAE-HS-SPME Followed by GC-MS,
Chromatographia, 2007, 65, 7-8, 463-467, https://doi.org/10.1365/s10337-007-0183-0
. [all data]
Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030
. [all data]
de Lima, Maia, et al., 2006
de Lima, M.G.A.; Maia, I.C.C.; de Sousa, M.D.; de Morais, S.M.; Freitas, S.M.,
Effect of stalk and leaf extracts from euphorbiaceae species on Aedes aegypti (Diptera, culicidae) larvae,
Rev. Inst. Med. trop. S. Paulo, 2006, 48, 4, 211-214, https://doi.org/10.1590/S0036-46652006000400007
. [all data]
Deng, Yao, et al., 2005
Deng, C.; Yao, N.; Wang, A.; Zhang, X.,
Determination of essential oil in a traditional Chinese medicine, Fructus amomi by pressurized hot water extraction followed by liquid-phase microextraction and gas chromatography-mass spectrometry,
Anal. Chim. Acta., 2005, 536, 1-2, 237-244, https://doi.org/10.1016/j.aca.2004.12.044
. [all data]
Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S.,
Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis,
J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w
. [all data]
Deng, Li, et al., 2004
Deng, C.; Li, N.; Zhang, X.,
Rapid determination of essential oil in Acorus tatarinowii Schott. by pressurized hot water extraction followed by solid-phase microextraction and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2004, 1059, 1-2, 149-155, https://doi.org/10.1016/j.chroma.2004.10.005
. [all data]
Moretti, Madonia, et al., 2004
Moretti, V.M.; Madonia, G.; Diaferia, C.; Mentasti, T.; Paleari, M.A.; Panseri, S.; Pirone, G.; Gandini, G.,
Chemical and microniological parameters and sensory attributes of a typical Sicilian salami ripened in different conditions,
Meat Sci., 2004, 66, 4, 845-854, https://doi.org/10.1016/j.meatsci.2003.08.006
. [all data]
Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O,
J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l
. [all data]
Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E.,
Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O,
J. Agric. Food Chem., 2002, 50, 6, 1523-1528, https://doi.org/10.1021/jf011077p
. [all data]
Petrakis, Tsitsimpikou, et al., 2001
Petrakis, P.V.; Tsitsimpikou, C.; Tzakou, O.; Couladis, M.; Vagias, C.; Roussis, V.,
Needle volatiles from five Pinus species growing in Greece,
Flavour Fragr. J., 2001, 16, 4, 249-252, https://doi.org/10.1002/ffj.990
. [all data]
Yang, 2001
Yang, R.,
Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry,
Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]
Storer, Elmore, et al., 1993
Storer, J.R.; Elmore, J.S.; van Emden, H.F.,
Airborne volatiles from the foliage of three cultivars of autumn flowering chrysanthemums,
Phytochemistry, 1993, 34, 6, 1489-1492, https://doi.org/10.1016/S0031-9422(00)90833-1
. [all data]
Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R.,
Volatile constituents of Amaranthus retroflexus L.,
J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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