Citronellyl tiglate
- Formula: C15H26O2
- Molecular weight: 238.3657
- IUPAC Standard InChI: InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6-
- IUPAC Standard InChIKey: UCFQYMKLDPWFHZ-NSIKDUERSA-N
- CAS Registry Number: 24717-85-9
- 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-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (E)-; 3,7-Dimethyl-6-octenyl (2E)-2-methyl-2-butenoate; E-Citronellyl tiglate; Tiglic acid citronellyl ester; Crotonic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (E)-; (E)-3,7-Dimethyloct-6-en-1-yl 2-methylbut-2-enoate; 3,7-Dimethyloct-6-enyl (E)-2-methylbut-2-enoate; 3,7-dimethyl-6-octenyl 2-methylcrotonate
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Normal alkane RI, non-polar column, temperature ramp
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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 |
|---|---|---|---|
| Active phase | DB-5 MS | BP-1 | HP-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Helium | N2 | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 50. | 60. | 80. |
| Tend (C) | 250. | 220. | 200. |
| Heat rate (K/min) | 2. | 5. | 9. |
| Initial hold (min) | 5. | ||
| Final hold (min) | 10. | ||
| I | 1658. | 1647. | 1625. |
| Reference | Koba, Sanda, et al., 2009 | Gupta, Mallavarapu, et al., 2001 | Lis-Balchin and Roth, 2000 |
| Comment | 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.
Koba, Sanda, et al., 2009
Koba, K.; Sanda, K.; Guyon, C.; Raynaud, C.; Chaumont, J.-P.; Nicod, L.,
In vitro cytotoxic activity of Cymbopogon citratus L. and Cymbopogon nardus L. essential oils from Togo,
J. Bangladesh Pharmacological Soc., 2009, 4, 29-34. [all data]
Gupta, Mallavarapu, et al., 2001
Gupta, R.; Mallavarapu, G.R.; Banerjee, S.; Kumar, S.,
Characteristics of an isomenthone-rich somaclonal mutant isolated in a geraniol-rich rose-scented geranium accession of Pelargonium graveolens,
Flavour Fragr. J., 2001, 16, 5, 319-324, https://doi.org/10.1002/ffj.1002
. [all data]
Lis-Balchin and Roth, 2000
Lis-Balchin, M.; Roth, G.,
Composition of the essential oils of Pelargonium odoratissimum, P. exstipulatum, and P. x fragrans (Geraniaceae) and their bioactivity,
Flavour Fragr. J., 2000, 15, 6, 391-394, https://doi.org/10.1002/1099-1026(200011/12)15:6<391::AID-FFJ929>3.0.CO;2-W
. [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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