Citronellyl isobutyrate
- Formula: C14H26O2
- Molecular weight: 226.3550
- IUPAC Standard InChI: InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
- IUPAC Standard InChIKey: ZGPPERKMXSGYRK-UHFFFAOYSA-N
- CAS Registry Number: 97-89-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester; Isobutyric acid, 3,7-dimethyl-6-octenyl ester; Citronellyl isobutanoate; 3,7-Dimethyloct-6-en-1-yl isobutyrate; 3,7-Dimethyl-6-octenyl 2-methylpropanoate; .beta.-Citronellol, 2-methylpropionate; 3,7-dimethyloct-6-enyl isobutyrate
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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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5MS | FSOT-RSL-200 | 5 % Phenyl methyl siloxane | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | He | Hydrogen | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 60. | 60. |
| Tend (C) | 230. | 250. | 280. | 280. | 220. |
| Heat rate (K/min) | 3. | 2. | 6. | 3. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 5. | 30. | |||
| I | 1488. | 1482. | 1483. | 1462. | 1468. |
| Reference | Pripdeevech and Saansoomchai, 2013 | Farah, Afifi, et al., 2006 | Jirovetz, Eller, et al., 2006 | Marongiu, Piras, et al., 2006 | Werkhoff and Güntert, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 80. |
| Tend (C) | 210. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1466. |
| Reference | Nishimura, 1995 |
| Comment | 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.
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Farah, Afifi, et al., 2006
Farah, A.; Afifi, A.; Fechtal, M.; Chhen, A.; Satrani, B.; Talbi, M.; Chaouch, A.,
Fractional distillation effect on the chemical composition of Moroccan myrtle (Myrtus communis L.) essential oils,
Flavour Fragr. J., 2006, 21, 2, 351-354, https://doi.org/10.1002/ffj.1651
. [all data]
Jirovetz, Eller, et al., 2006
Jirovetz, L.; Eller, G.; Buchbauer, G.; Schmidt, E.; Denkova, Z.; Stoyanova, A.S.; Nikolova R.; Geissler, M.,
Chemical composition, antimicrobial activities and odor descriptions of some essential oils with characteristic floral-rosy scent and of their principal aroma compounds,
Recent. Res. Devel. Agronomy Horticulture, 2006, 2, 1-12. [all data]
Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A.,
Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction,
Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684
. [all data]
Werkhoff and Güntert, 1997
Werkhoff, P.; Güntert, M.,
Identification of some ester compounds in bourbon vanilla beans,
Lebensm. Wiss. Technol., 1997, 30, 4, 429-431, https://doi.org/10.1006/fstl.1996.0194
. [all data]
Nishimura, 1995
Nishimura, O.,
Application of a thermal desorption cold trap injector to multidimensional GC and GC-MS,
J. Hi. Res. Chromatogr., 1995, 18, 11, 699-704, https://doi.org/10.1002/jhrc.1240181105
. [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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