1,3,7-Octatriene, 3,7-dimethyl-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
- 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-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.