Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
- Formula: C15H28O2
- Molecular weight: 240.3816
- IUPAC Standard InChI: InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
- IUPAC Standard InChIKey: WZTNQQJXPYEGAF-UHFFFAOYSA-N
- CAS Registry Number: 68922-10-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Citronellyl iso-valerate; Citronellyl 3-methylbutanoate; 3,7-dimethyloct-6-enyl isovalerate
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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 |
|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 25. | 25. |
| Carrier gas | N2 | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. |
| Tend (C) | 290. | 300. |
| Heat rate (K/min) | 4. | 6. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1558. | 1558. |
| Reference | Bos, Woerdenbag, et al., 1997 | Bos, Woerdenbag, et al., 1997, 2 |
| Comment | 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.
Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C.,
Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC,
Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4
. [all data]
Bos, Woerdenbag, et al., 1997, 2
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Scheffer, J.J.C.,
Composition of the essential oils from underground parts of Valeriana officinalis L. s.l. and several closely related taxa,
Flavour Fragr. J., 1997, 12, 5, 359-370, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<359::AID-FFJ660>3.0.CO;2-G
. [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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