Geranyl tiglate
- Formula: C15H24O2
- Molecular weight: 236.3499
- IUPAC Standard InChI: InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+
- IUPAC Standard InChIKey: OGHBUHJLMHQMHS-KRDNBFTESA-N
- CAS Registry Number: 7785-33-3
- 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-2,6-octadienyl ester, (E,E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, 2-methyl-2-butenoate, (E,E)--; cis-α,β-Dimethyl acrylic acid, geraniol ester; trans-3,7-Dimethyl-2,6-octadien-1-yl cis-α,β-dimethyl acrylate; Tiglic acid, geraniol ester; (2E)-3,7-Dimethyl-2,6-octadienyl (2E)-2-methyl-2-butenoate; (E)-(E)-3,7-Dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate; (E)-3,7-Dimethylocta-2,6-dienyl (E)-2-methylbut-2-enoate; Gernyl tiglate; Geranyl (E)-2-methyl-2-butenoate; (E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate
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- Other data available:
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Van Den Dool and Kratz 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 | VF-5MS | DB-5 | HP-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 50. |
| Tend (C) | 270. | 250. | 240. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | |
| Initial hold (min) | 5. | |||
| Final hold (min) | 10. | |||
| I | 1703. | 1695. | 1705. | 1700. |
| Reference | Liang, 2010 | Yu, Liao, et al., 2007 | Shellie and Marriott, 2003 | Demetzos, Angelopoulou, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Liang, 2010
Liang, Y.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2010. [all data]
Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L.,
Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima,
Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004
. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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