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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 |
|---|---|---|---|---|
| Active phase | Supelcowax-10 | NB-20M | DB-Wax | Innowax |
| Column length (m) | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | |
| Tstart (C) | 50. | 50. | 60. | 60. |
| Tend (C) | 250. | 250. | 250. | 220. |
| Heat rate (K/min) | 2. | 2. | 6. | 4. |
| Initial hold (min) | 2. | 10. | ||
| Final hold (min) | 10. | |||
| I | 1875. | 1876. | 1884. | 1871. |
| Reference | Raal, Orav, et al., 2007 | Orav, Raal, et al., 2006 | Hamilton, Hall, et al., 2005 | Suleimenov, Atazharova, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
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]
Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]
Notes
Go To: Top, Normal alkane 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.