2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester
- Formula: C11H18O2
- Molecular weight: 182.2594
- IUPAC Standard InChI: InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+
- 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, temperature ramp
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 | SLB-5 MS | HP-5MS | DB-1 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Nitrogen | Helium | He | Helium | |
| 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 |
| Tstart (C) | 40. | 50. | 60. | 50. | 40. |
| Tend (C) | 230. | 250. | 250. | 260. | 220. |
| Heat rate (K/min) | 2. | 3. | 2. | 2.5 | 3. |
| Initial hold (min) | 2. | 8. | 1. | ||
| Final hold (min) | 10. | 15. | 20. | 3. | |
| I | 1326. | 1320. | 1331. | 1307. | 1327. |
| Reference | Scrivanti, Anton, et al., 2009 | Lo Presti, Sciarrone, et al., 2008 | Ferhat, Meklati, et al., 2007 | Monser-Esfahani, Karamkhani, et al., 2007 | Hymete, Rohloff, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | HP-5MS | SPB-1 | DB-5 | HP-5MS |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | N2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 50. | 40. | 50. |
| Tend (C) | 300. | 250. | 220. | 250. | 250. |
| Heat rate (K/min) | 4. | 10. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 1. | 10. | ||
| Final hold (min) | 10. | 5. | |||
| I | 1306. | 1323. | 1302. | 1310. | 1325. |
| Reference | Lis and Milczarek, 2006 | Robinson, 2006 | Wong, Lim, et al., 2006 | Yadegarinia, Gachkar, et al., 2006 | Melkani, Dev, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5MS | DB-5 | RTX-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | 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 | ||
| Tstart (C) | 40. | 60. | 60. | 60. | 70. |
| Tend (C) | 220. | 280. | 240. | 150. | 300. |
| Heat rate (K/min) | 4. | 3. | 3. | 1. | 3. |
| Initial hold (min) | 1. | 3. | 5. | ||
| Final hold (min) | 30. | ||||
| I | 1319. | 1297. | 1322. | 1324. | 1300. |
| Reference | de Oliveira, Dias, et al., 2005 | Marongiu, Piras, et al., 2004 | da Silva, Luz, et al., 2003 | Kovacevic and Kac, 2002 | Guy and Vernin, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | OV-101 | OV-101 | DB-1 | DB-1 |
| Column length (m) | 50. | 50. | 60. | 60. |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 80. | 80. | 50. | 50. |
| Tend (C) | 200. | 200. | 240. | 240. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1299. | 1302. | 1302. | 1305. |
| Reference | Tamura, Yang, et al., 1993 | Tamura, Yang, et al., 1993 | Shiota, 1991 | Shiota, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009
. [all data]
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]
Ferhat, Meklati, et al., 2007
Ferhat, M.A.; Meklati, B.Y.; Chemat, F.,
Comparison of different isolation methods of essential oil from Citrus fruits: cold pressing, hydrodistillation and microwave dry distillation,
Flavour Fragr. J., 2007, 22, 6, 494-504, https://doi.org/10.1002/ffj.1829
. [all data]
Monser-Esfahani, Karamkhani, et al., 2007
Monser-Esfahani, H.R.; Karamkhani, F.; Nickavar, B.; Abdi, K.; Faramarzi, M.A.,
The Volatile Constituents of Dracocephalum kotschyi Oils,
Chem. Nat. Comp., 2007, 43, 1, 40-43, https://doi.org/10.1007/s10600-007-0027-z
. [all data]
Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H.,
Essential oil from seeds and husks of Aframomum corrorima from Ethiopia,
Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634
. [all data]
Lis and Milczarek, 2006
Lis, A.; Milczarek, J.,
Chemical composition of the essential oils from fruits, leaves and flowers of Phellodendron sachalinense (Fr. Schmidt) Sarg.,
Flavour Fragr. J., 2006, 21, 4, 683-686, https://doi.org/10.1002/ffj.1662
. [all data]
Robinson, 2006
Robinson, C.J.,
A new essential oil - Agonis fragrans, A report for the Rural Industries Research and Development Corporation, RIRDC Publication No. 06/090, Rural Industries Research and Development Corporation, Barton, ACT, 2006, 12. [all data]
Wong, Lim, et al., 2006
Wong, K.C.; Lim, T.B.; Ali, D.M.H.,
Essential oil of Homalomena sagittifolia Jungh.,
Flavour Fragr. J., 2006, 21, 5, 786-788, https://doi.org/10.1002/ffj.1714
. [all data]
Yadegarinia, Gachkar, et al., 2006
Yadegarinia, D.; Gachkar, L.; Rezaei, M.B.; Taghizadeh, M.; Astaneh, S.A.; Rasooli, I.,
Biochemical activities of Iranian Mentha piperita L. and Myrtus communis L. essential oils,
Phytochemistry, 2006, 67, 12, 1249-1255, https://doi.org/10.1016/j.phytochem.2006.04.025
. [all data]
Melkani, Dev, et al., 2005
Melkani, A.B.; Dev, V.; Beauchamp, P.S.; Negi, A.; Mehta, S.P.S.; Melkani, K.B.,
Constituents of the essential oil of a new chemotype of Elsholtzia strobilifera Benth.,
Biochem. Syst. Ecol., 2005, 33, 4, 419-425, https://doi.org/10.1016/j.bse.2004.10.009
. [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]
Marongiu, Piras, et al., 2004
Marongiu, B.; Piras, A.; Porcedda, S.,
Comparative analysis of the oil and supercritical CO2 extract of Elettaria cardamomum (L.) maton,
J. Agric. Food Chem., 2004, 52, 20, 6278-6282, https://doi.org/10.1021/jf034819i
. [all data]
da Silva, Luz, et al., 2003
da Silva, J.D.; Luz, A.I.R.; da Silva, M.H.L.; Andrade, E.H.A.; Soghbi, M.G.B.; Maia, J.G.S.,
Essential oils of the leaves and stems of four Psidium spp.,
Flavour Fragr. J., 2003, 18, 3, 240-243, https://doi.org/10.1002/ffj.1219
. [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]
Guy and Vernin, 1996
Guy, I.; Vernin, G.,
Minor compounds from Cistus ladaniferus L. essential oil from esterel. 2. Acids and phenols,
J. Essent. Oil Res., 1996, 8, 4, 455-462, https://doi.org/10.1080/10412905.1996.9700666
. [all data]
Tamura, Yang, et al., 1993
Tamura, H.; Yang, R.-H.; Sugisawa, H.,
Aroma profiles of peel oils of acid citrus,
ACS Sym. Ser., 1993, 525, 121-136. [all data]
Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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