α-Irone
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13+/m0/s1
- IUPAC Standard InChIKey: JZQOJFLIJNRDHK-MDQMCFMNSA-N
- CAS Registry Number: 79-69-6
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-; α-Ionone, 6-methyl-; Methyl-α-ionone; 6-Methyl-α-ionone; α-Methyl-ionone; Ionone 6-Methyl, α; 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one; α-Ionone, methyl-; 4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one
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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 |
|---|---|---|---|
| Active phase | DB-5 | HP-5 | DB-1 |
| Column length (m) | 30. | 25. | 30. |
| Carrier gas | Helium | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.33 | |
| Tstart (C) | 60. | 60. | 60. |
| Tend (C) | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. |
| Initial hold (min) | |||
| Final hold (min) | 7. | ||
| I | 1517. | 1518. | 1519.0 |
| Reference | Magalhaes, Lima, et al., 2010 | Duarte, Figueira, et al., 2005 | Santos, Moreira, et al., 2001 |
| Comment | MSDC-RI | 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.
Magalhaes, Lima, et al., 2010
Magalhaes, L.A.M.; Lima, M. daP.; Marques, M.O.M.; Facanali, R.; Pinto, A.C. daS.; Tadei, W.P.,
Chemical composition and larvicidal activity against Aedes aegypti Larvae of essential oils from four Guarea species,
Molecules, 2010, 15, 8, 5734-5741, https://doi.org/10.3390/molecules15085734
. [all data]
Duarte, Figueira, et al., 2005
Duarte, M.C.T.; Figueira, G.M.; Sartoratto, A.; Rehder, V.L.G.; Delarmelina, C.,
Anti-Candida activity of Brazilian medicinal plants,
J. Ethnopharmacol., 2005, 97, 2, 305-311, https://doi.org/10.1016/j.jep.2004.11.016
. [all data]
Santos, Moreira, et al., 2001
Santos, P.R.; Moreira, D.L.; Guimaraes, E.F.; Kaplan, M.A.C.,
Essential oil analysis of 10 piperaceae species from the Brazilian Atlantic forest,
Phytochemistry, 2001, 58, 4, 547-551, https://doi.org/10.1016/S0031-9422(01)00290-4
. [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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