2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-
- Formula: C13H22O2
- Molecular weight: 210.3126
- IUPAC Standard InChI: InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
- IUPAC Standard InChIKey: BYCHQEILESTMQU-XFXZXTDPSA-N
- CAS Registry Number: 105-91-9
- 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: 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (Z)-; Neryl propionate; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; Propionic acid, neryl ester; Neryl propanoate; (2Z)-3,7-Dimethyl-2,6-octadienyl propionate
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- Other data available:
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Van Den Dool and Kratz RI, polar column, temperature ramp
Go To: Top, References, Notes
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 | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | RTX-Wax | RTX-Wax | RTX-Wax | BP-20 |
| Column length (m) | 60. | 60. | 60. | 60. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 230. | 230. | 230. | 230. | 230. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 35. | 35. | 35. | 35. | 35. |
| I | 1784. | 1784. | 1764. | 1784. | 1782. |
| Reference | Paolini J., Costa J., et al., 2007 | Paolini, Muselli, et al., 2007 | Paolini J., Desjobert J.M., et al., 2006 | Paolini, Costa, et al., 2005 | Bianchini, Tomi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | BP-20 | BP-20 |
| Column length (m) | 50. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 230. | 230. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | ||
| Final hold (min) | 35. | 35. |
| I | 1782. | 1782. |
| Reference | Bianchini, Tomi, et al., 2003 | Bianchini, Tomi, et al., 2001 |
| 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.
Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977
. [all data]
Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Paolini J., Desjobert J.M., et al., 2006
Paolini J.; Desjobert J.M.; Costa J.; Bernardini A.F.; Castellini C.B.; Cioni P.L.; Flamini G.; Morelli I.,
Composition of essential oils of Helichrysum italicum (Roth) G. Don fil subsp. italicum from Tuscan archipelago islands,
Flavour Fragr. J., 2006, 21, 5, 805-808, https://doi.org/10.1002/ffj.1726
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Bianchini, Tomi, et al., 2003
Bianchini, A.; Tomi, P.; Bernardini, A.F.; Morelli, I.; Flamini, G.; Cioni, P.L.; Usai, M.; Marchetti, M.,
A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy),
Flavour Fragr. J., 2003, 18, 6, 487-491, https://doi.org/10.1002/ffj.1231
. [all data]
Bianchini, Tomi, et al., 2001
Bianchini, A.; Tomi, P.; Costa, J.; Bernardini, A.F.,
Composition of Helichrysum italicum (Roth) G. Don fil. subsp. italicum essential oils from Corsica (France),
Flavour Fragr. J., 2001, 16, 1, 30-34, https://doi.org/10.1002/1099-1026(200101/02)16:1<30::AID-FFJ941>3.0.CO;2-F
. [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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