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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Normal alkane RI, non-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 | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | ZB-5 | HP-5 MS | DB-5MS | BP-1 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | He | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 80. | 60. |
| Tend (C) | 240. | 230. | 250. | 220. |
| Heat rate (K/min) | 3. | 3. | 5. | 5. |
| Initial hold (min) | 10. | 2. | ||
| Final hold (min) | 1. | 10. | 9. | |
| I | 1260. | 1312. | 1314. | 1305. |
| Reference | Gardini, Beletti, et al., 2009 | Adams, Beauchamp, et al., 2007 | Watanabe Y., Mihara R., et al., 2005 | Gupta, Mallavarapu, et al., 2001 |
| 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.
Gardini, Beletti, et al., 2009
Gardini, F.; Beletti, N.; Ndagikimana, M.; Guerzoni, M.E.; Tchoumbougnang, F.; Zollo, P.H.A.; Micci, C.; Lanciotti, R.; Kamdem, S.L.S.,
Composition of four essential oils obtained from plants from Cameroon, and their bactericidal and bacteriostatic activity against Listeria Monocytogenes, Salmonella enteritidis and Staphyllococcus aureus,
African J. Microbiol. Res., 2009, 3, 5, 264-271. [all data]
Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M.,
New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247
. [all data]
Watanabe Y., Mihara R., et al., 2005
Watanabe Y.; Mihara R.; Mitsunaga T.; Yoshimura T.,
Termite repellent sesquiterpenoids from Callitris glaucophylla heartwood,
J. Wood Sci., 2005, 51, 5, 514-519, https://doi.org/10.1007/s10086-004-0683-6
. [all data]
Gupta, Mallavarapu, et al., 2001
Gupta, R.; Mallavarapu, G.R.; Banerjee, S.; Kumar, S.,
Characteristics of an isomenthone-rich somaclonal mutant isolated in a geraniol-rich rose-scented geranium accession of Pelargonium graveolens,
Flavour Fragr. J., 2001, 16, 5, 319-324, https://doi.org/10.1002/ffj.1002
. [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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