β-Asarone
- Formula: C12H16O3
- Molecular weight: 208.2536
- IUPAC Standard InChI: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-
- IUPAC Standard InChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-N
- CAS Registry Number: 5273-86-9
- 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: Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; cis-Asarone; cis-β-Asarone; (Z)-Asarone; Benzene, 1,2,4-trimethoxy-5-propenyl-, (Z)-; cis-Isoasarone; cis-Isoelemicin; (Z)-5-Propenyl-1,2,4-trimethoxybenzene; (Z)-β-Asarone; (Z)-Isoelemicin; 1,2,4-Trimethoxy-5-[(1Z)-1-propenyl]benzene; (Z)-1,2,4-Trimethoxy-5-(prop-1-en-1-yl)benzene; (Z)-Azarone; 2,4,5-trimethoxypropen-1-ylbenzene
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- Other data available:
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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 |
|---|---|---|---|---|
| Active phase | CP Sil 8 CB | HP-5 MS | HP-5MS | Methyl Silicone |
| Column length (m) | 50. | 30. | 30. | |
| Carrier gas | Helium | Helium | He | |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Program | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | 40 0C (3 min) 6 0C/min -> 150 0C (1 min) 10 0C/min -> 250 0C (10 min) | 60C => 10C/min => 160C => 12C/min => 300C (5min) | not specified |
| I | 1617. | 1631. | 1596. | 1579. |
| Reference | Radusiene, Judzentiene, et al., 2007 | Xian, Chen, et al., 2006 | Deng, Li, et al., 2004 | Grundschober, 1991 |
| Comment | 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.
Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V.,
Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations,
Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928
. [all data]
Xian, Chen, et al., 2006
Xian, Q.-M.; Chen, H.-D.; Zou, H.-H.,
Allelopathic activity of volatile substance from submerged macrophytes on Microcystin aeruginosa,
Acta Ecologica Sinica, 2006, 26, 11, 3549-3554, https://doi.org/10.1016/S1872-2032(06)60054-1
. [all data]
Deng, Li, et al., 2004
Deng, C.; Li, N.; Zhang, X.,
Rapid determination of essential oil in Acorus tatarinowii Schott. by pressurized hot water extraction followed by solid-phase microextraction and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2004, 1059, 1-2, 149-155, https://doi.org/10.1016/j.chroma.2004.10.005
. [all data]
Grundschober, 1991
Grundschober, F.,
The identification of individual components in flavourings and flavoured foods,
Z. Lebensm. Unters. Forsch., 1991, 192, 6, 530-534, https://doi.org/10.1007/BF01202508
. [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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