2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (Z)-
- Formula: C11H18O2
- Molecular weight: 182.2594
- IUPAC Standard InChI: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
- IUPAC Standard InChIKey: FQMZVFJYMPNUCT-XFFZJAGNSA-N
- CAS Registry Number: 2142-94-1
- 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: 3,7-Dimethyl-2,6-octadien-1-ol, formate; Formic acid, neryl ester; Neryl formate; (Z)-3,7-Dimethylocta-2,6-dien-1-yl formate; 3,7-Dimethyl-cis-2,6-octadienyl formate
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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 | HP-5 | BP-1 | DB-1 | HP-101 |
| Column length (m) | 30. | 50. | 30. | 50. |
| Carrier gas | Helium | Helium | H2 | |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.22 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.3 |
| Tstart (C) | 60. | 60. | 60. | 65. |
| Tend (C) | 240. | 220. | 230. | 300. |
| Heat rate (K/min) | 3. | 2. | 3. | 2. |
| Initial hold (min) | 2. | 3. | 5. | |
| Final hold (min) | 20. | 10. | ||
| I | 1284. | 1263. | 1267. | 1259. |
| Reference | Kahriman, Tosun, et al., 2011 | Ottavioli, Bighelli, et al., 2009 | Tohar, Mohd, et al., 2006 | Demarne and van der Walt, 1993 |
| 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.
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Ottavioli, Bighelli, et al., 2009
Ottavioli, J.; Bighelli, A.; Casanova, J.; Bang, B.T.; Y.,
GC (retention indices), GC-MS, and 13C NMR of two citral-rich Cymbopogon leaf oils: C. Flexuosus and C. tortilis,
Spectroscopy Lett., 2009, 42, 8, 506-512, https://doi.org/10.1080/00387010903022350
. [all data]
Tohar, Mohd, et al., 2006
Tohar, N.; Mohd, M.A.; Jantan, I.; Awang, K.,
A comparative study of the essential oils of the genus Plumeria Linn. from Malaysia,
Flavour Fragr. J., 2006, 21, 6, 859-863, https://doi.org/10.1002/ffj.1617
. [all data]
Demarne and van der Walt, 1993
Demarne, F.-E.; van der Walt, J.J.A.,
Composition of the Essential Oil of Pelargonium citronellum (Geraniaceae),
J. Essent. Oil Res., 1993, 5, 3, 233-238, https://doi.org/10.1080/10412905.1993.9698214
. [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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