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:
- Options:
Normal alkane RI, 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 |
|---|---|---|
| Active phase | DB-Wax | HP-Innowax FSC |
| Column length (m) | 30. | 60. |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1596. | 1571. |
| Reference | Zhao, Xu, et al., 2009 | Tabanca, Kirimer, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
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]
Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Can Baser, K.H.,
The composition of essential oils from two varieties of Sideritis erythrantha var. erythrantha and var. cedretorum,
Turk. J. Chem., 2001, 25, 201-208. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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