6-Octenoic acid, 3,7-dimethyl-, methyl ester
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3
- IUPAC Standard InChIKey: ZFLPOPCZMXGUOJ-UHFFFAOYSA-N
- CAS Registry Number: 2270-60-2
- 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:
- Other names: Methyl citronellate; Methyl 3,7-dimethyl-6-octenoate; Citronellic acid, methyl ester; methyl 3,7-dimethyloct-6-enoate
- Information on this page:
- Other data available:
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Normal alkane RI, polar column, temperature ramp
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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 |
|---|---|---|
| Active phase | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 45. |
| Carrier gas | Helium | Hydrogen |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 1.0 |
| Tstart (C) | 40. | 60. |
| Tend (C) | 230. | 200. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | 2. | 5. |
| Final hold (min) | 5. | |
| I | 1604. | 1562. |
| Reference | Zhao, Xu, et al., 2009 | Kollmannsberger, Nitz, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F.,
UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok),
Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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