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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Normal alkane 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 |
|---|---|---|
| Active phase | DB-5MS | HP-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.32 |
| Tstart (C) | 60. | 60. |
| Tend (C) | 280. | 250. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | 30. | 30. |
| Final hold (min) | ||
| I | 1583. | 1626. |
| Reference | Marongiu, Piras, et al., 2005 | Yassa, Akhani, et al., 2003 |
| Comment | 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.
Marongiu, Piras, et al., 2005
Marongiu, B.; Piras, A.; Porcedda, S.; Scorciapino, A.,
Chemical composition of the essential oil and supercritical CO2 extract of Commiphora myrrha (Nees) Engl. and of Acorus calamus L.,
J. Agric. Food Chem., 2005, 53, 20, 7939-7943, https://doi.org/10.1021/jf051100x
. [all data]
Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
Z. Naturforsch. C:, 2003, 58, 459-463. [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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