1,5-Heptadien-4-ol, 3,3,6-trimethyl-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3
- IUPAC Standard InChIKey: WPPVSYVQAKQNJK-UHFFFAOYSA-N
- CAS Registry Number: 27644-04-8
- 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. - Other names: 3,3,6-Trimethyl-1,5-heptadien-4-ol; 2,5,5-trimethylhepta-2,6-dien-4-ol; Artemisia alcohol; 3,3,6-Trimethylhepta-1,5-dien-4-ol; (.+/-.)-Artemisia alcohol; 57590-19-9
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- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, custom temperature program
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 | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 MS | Optima-5MS | HP-1 | CP Sil 8 CB |
| Column length (m) | 30. | 30. | 50. | ||
| Carrier gas | Helium | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | ||
| Program | not specified | not specified | 40 0C (5 min) 5 0C/min -> 230 0C 30 0C/min -> 280 0C (5 min) | 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| I | 1085. | 1085. | 1079. | 1082. | 1084. |
| Reference | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 | HEuskin, Godin, et al., 2009 | Merle, Verdeguer, et al., 2007 | Judzentiene and Buzelyte, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-52 | SE-30 | DB-5 | Polydimethyl siloxanes | |
| Column length (m) | 30. | 30. | |||
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | |||
| Phase thickness (μm) | 0.15 | ||||
| Program | 45C => 1C/min => 100C => 5C/min => 250C (10min) | not specified | not specified | not specified | not specified |
| I | 1084. | 1074. | 1074. | 1083. | 1074. |
| Reference | Tognolini, Barocelli, et al., 2006 | El-Shazily, Hafez, et al., 2004 | Vinogradov, 2004 | Isidorov, Zenkevich, et al., 2001 | Zenkevich, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [all data]
HEuskin, Godin, et al., 2009
HEuskin, S.; Godin, B.; Leroy, P.; Quentin C.; Wathelet, J.-P.; Verheggen, F.; Haubruge, E.; Lognay, G.,
Fast gas chromatography characterization of purified semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae),
J. Chromatorg. A., 2009, 1216, 14, 2768-2775, https://doi.org/10.1016/j.chroma.2008.09.109
. [all data]
Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain,
Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821
. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
Chemija, 2006, 17, 1, 12-15. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Isidorov, Zenkevich, et al., 2001
Isidorov, V.A.; Zenkevich, I.G.; Krajewska, U.; Dubis, E.N.; Jaroszynska, J.; Bal, K.,
Gas chromatographic analysis of essential oils with preliminary partition of components,
Phytochem. Anal., 2001, 12, 2, 87-90, https://doi.org/10.1002/pca.564
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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