2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester
- Formula: C11H18O2
- Molecular weight: 182.2594
- IUPAC Standard InChIKey: ACOBBFVLNKYODD-CSKARUKUSA-N
- CAS Registry Number: 2349-14-6
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Methyl geranate; Methyl geraniate; Methyl 3,7-dimethyl-2,6-octadienoate
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, custom temperature program
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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 | SLB-5 MS | DB-5 | DB-5 | SE-30 | HP-1 |
Column length (m) | 30. | 30. | 30. | 25. | |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.11 | ||
Program | not specified | 80 0C (1 min) 3 0C/min -> 180 0C 10 0C/min -> 300 0C (3 min) | not specified | not specified | 60C (3min) => 2.5C/min => 190C (1min) => 70C/min => 240V (11min) |
I | 1320. | 1323. | 1323. | 1306. | 1302. |
Reference | Lo Presti, Sciarrone, et al., 2008 | Blank, Fontes, et al., 2005 | de Oliveira, Dias, et al., 2005 | Vinogradov, 2004 | Kovacevic and Kac, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 25. | 25. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.39 | |
Phase thickness (μm) | ||
Program | not specified | not specified |
I | 1302. | 1309. |
Reference | Weyerstahl, Marschall, et al., 1999 | Weyerstahl, Marschall, et al., 1998 |
Comment | 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.
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [all data]
Blank, Fontes, et al., 2005
Blank, A.F.; Fontes, S.M.; Carvalho Filho, J.L.S.; Alves, P.B.; Silva-Mann, R.; Mendonça, M.C.; Arrigoni-Blank, M.F.; Rodrigues, M.O.,
Influence of harvest times and drying of leaves on the essential oil of Melissa officinalis L. cultivated in two environments,
Rev. Bras. Pl. Med., Botucatu, 2005, 8, 1, 73-78. [all data]
de Oliveira, Dias, et al., 2005
de Oliveira, R.N.; Dias, I.J.M.; Câmara, C.A.G.,
Estudo comparativo do óleo essencial de Eugenia punicifolia (HBK) DC. de diferentes localidades de Pernambuco,
Rev. Bras. Farmacogn., 2005, 15, 1, 39-43, https://doi.org/10.1590/S0102-695X2005000100009
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Kovacevic and Kac, 2002
Kovacevic, N.; Kac, M.,
Analytical, nutritional, and clinical methods section. Determination and verification of hop varieties by analysis of essential oils,
Food Chem., 2002, 77, 4, 489-494, https://doi.org/10.1016/S0308-8146(02)00114-0
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K.,
Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India,
Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [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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