trans-Geranic acid 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: 1189-09-9
- 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: 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (E)-; E-Methylgeranate; Geranic acid methyl ester; Methyl geranoate; Methyl trans-geranate; Methyl geranate; Methyl (2E)-3,7-dimethyl-2,6-octadienoate; (E)-Geranic acid methyl ester; Methyl 2,6-octadienoate, 3,7-dimethyl, (E)-; Methyl (E)-2,6-octadienoate, 3,7-dimethyl; Methyl E-geranate; Methyl (E)-geraniate; 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2E)-; (E)-Methyl 3,7-dimethylocta-2,6-dienoate; methyl (E)-3,7-dimethylocta-2,6-dienoate
- 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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | Siloxane, 5 % Ph | CP-Sil 5 CB | DB-5 |
| Column length (m) | 50. | 60. | |||
| Carrier gas | Nitrogen | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | |||
| Phase thickness (μm) | 1.20 | 1.00 | |||
| Program | not specified | not specified | not specified | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
| I | 1326. | 1326. | 1326. | 1313. | 1315. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | VOC BinBase, 2012 | Gros, Nizet, et al., 2011 | Miyazaki, Plotto, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5 MS | Polydimethyl siloxane, 5 % phenyl | Methyl Silicone | DB-1 |
| Column length (m) | 30. | 60. | ||
| Carrier gas | Helium | |||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | ||
| Phase thickness (μm) | 0.25 | |||
| Program | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | not specified | not specified | not specified |
| I | 1324. | 1326. | 1308. | 1301. |
| Reference | Nance and Setzer, 2011 | Skogerson, Wohlgemuth, et al., 2011 | Bakshu and Raju, 2002 | Binder and Flath, 1989 |
| Comment | MSDC-RI | 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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Gros, Nizet, et al., 2011
Gros, J.; Nizet, S.; Collin, S.,
Occurence of odorant polyfunctional thiols in the Super Alpha Tomahawk Hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety,
J. Agric. Food Chem., 2011, 59, 16, 8853-8865, https://doi.org/10.1021/jf201294e
. [all data]
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N.,
Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing,
J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Bakshu and Raju, 2002
Bakshu, L.Md.; Raju, R.R.V.,
Essential oil composition and antimicrobial activity of tuberous roots of Pimpinella tirupatiensis Bal. Subr., an endemic taxon from eastern ghats, India,
Flavour Fragr. J., 2002, 17, 6, 413-415, https://doi.org/10.1002/ffj.1118
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [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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