6-Octenoic acid, 3,7-dimethyl-
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChI: InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
- IUPAC Standard InChIKey: GJWSUKYXUMVMGX-UHFFFAOYSA-N
- CAS Registry Number: 502-47-6
- 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. - Stereoisomers:
- Other names: Citronellic acid; 3,7-Dimethyl-6-octenoic acid; (-)-citronellic acid;; (R)-(+)-Citronellic acid
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Van Den Dool and Kratz 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 | DB-Wax |
| Column length (m) | 60. | 60. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.53 |
| Phase thickness (μm) | 0.25 | 1.0 |
| Tstart (C) | 32. | 50. |
| Tend (C) | 220. | 220. |
| Heat rate (K/min) | 3. | 3. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 2255. | 2257. |
| Reference | Brophy, Goldsack, et al., 2004 | Brophy, Goldsack, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Brophy, Goldsack, et al., 2004
Brophy, J.J.; Goldsack, R.J.; O'Sullivan, W.,
Chemistry of the Australian gymnosperms. Part VII. The leaf oils of the genus Actinostrobus,
Biochem. Syst. Ecol., 2004, 32, 10, 867-873, https://doi.org/10.1016/j.bse.2004.05.001
. [all data]
Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C.,
Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies,
Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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