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
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- 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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Kovats' RI, non-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 | BP-1 | DB-5 | BP-1 | BP-1 | BP-1 |
| Column length (m) | 25. | 50. | 60. | 25. | 25. |
| Carrier gas | N2 | He | N2 | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.55 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 50. | 60. | 60. | 60. |
| Tend (C) | 220. | 280. | 220. | 220. | 220. |
| Heat rate (K/min) | 5. | 5. | 5. | 5. | 5. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 13. | 10. | 15. | ||
| I | 1256. | 1307. | 1261. | 1264. | 1268. |
| Reference | Raina, Verma, et al., 2006 | Baranauskiene, Venskutonis, et al., 2003 | Raina, Lal, et al., 2002 | Jain, Aggarwal, et al., 2001 | Kulkarni, Mallavarapu, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Methyl Silicone |
| Column length (m) | 25. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.5 |
| Phase thickness (μm) | |
| Tstart (C) | 60. |
| Tend (C) | 220. |
| Heat rate (K/min) | 5. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1271. |
| Reference | Mallavarapu, Rao, et al., 1998 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547
. [all data]
Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
J. Agric. Food Chem., 2003, 51, 13, 3840-3848, https://doi.org/10.1021/jf021187b
. [all data]
Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139
. [all data]
Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S.,
Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India,
Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X
. [all data]
Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2
. [all data]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Notes
Go To: Top, Kovats' 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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