Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
- Formula: C15H26O2
- Molecular weight: 238.3657
- IUPAC Standard InChI: InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
- IUPAC Standard InChIKey: SOUKTGNMIRUIQN-ZROIWOOFSA-N
- CAS Registry Number: 3915-83-1
- 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: 2,6-Octadien-1-ol, 3,7-dimethyl-, isovalerate, (Z)-; 3,7-Dimethyl-2-cis-6-octadien-1-yl isovalerate; Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; Neryl isovalerianate; Neryl β-methyl butyrate; (Z)-3,7-Dimethylocta-2,6-dien-1-yl 3-methylbutanoate; Neryl isovalerate; Neryl 3-methylbutanoate; Neryl 3-methylbutyrate
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Normal alkane 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 |
|---|---|---|---|---|
| Active phase | DB-5 | SPB-5 | NB-30 | SPB-1 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 |
| Tstart (C) | 60. | 50. | 50. | 60. |
| Tend (C) | 240. | 250. | 250. | 250. |
| Heat rate (K/min) | 2. | 2. | 2. | 6. |
| Initial hold (min) | 2. | |||
| Final hold (min) | ||||
| I | 1582. | 1591. | 1566. | 1565. |
| Reference | Miyazawa and Tamura, 2007 | Raal, Orav, et al., 2007 | Orav, Raal, et al., 2006 | Hamilton, Hall, et al., 2005 |
| 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.
Miyazawa and Tamura, 2007
Miyazawa, M.; Tamura, N.,
Components of the essential oil from sprouts of Polygonum hydropiper L. ('Benitade'),
Flavour Fragr. J., 2007, 22, 3, 188-190, https://doi.org/10.1002/ffj.1779
. [all data]
Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia,
Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]
Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T.,
Composition of the essential oil of Artemisia absinthium L. of different geographical origin,
Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]
Hamilton, Hall, et al., 2005
Hamilton, J.G.C.; Hall, D.R.; Kirk, W.D.J.,
Identification of a male-produced aggregation pheromone in the western flower thrips,
J. Chem. Ecol., 2005, 31, 6, 1369-1379, https://doi.org/10.1007/s10886-005-1351-z
. [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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