α Isomethyl ionone
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
- IUPAC Standard InChIKey: JRJBVWJSTHECJK-PKNBQFBNSA-N
- CAS Registry Number: 127-51-5
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 4-(2,6,6-Trimethyl 2-cyclohexen-1-yl)-3-methyl-3-buten-2-one; 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-; α-Cetone; α-Ionone, isomethyl-; Cetone alpha; iso-α-methyl ionone; Isomethyl-α-ionone; Methyl-α-isoionone; 8-Methyl-α-ionone; NSC 66432; Isomethylionone; 3-methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-buten-2-one; 3-Methyl-4-(2,6,6-trimethylcyclohex-2-enyl)-but-3-en-2-one; 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- Information on this page:
- Other data available:
- Options:
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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | BPX-5 | BPX-5 | BPX-5 | BPX-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Hydrogen | Hydrogen | Hydrogen | Hydrogen | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 100. | 60. | 60. | 60. | 60. |
| Tend (C) | 999. | 999. | 999. | 999. | 999. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1484. | 1476. | 1481. | 1481. | 1482. |
| Reference | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | BPX-5 | Equity-5 MS | HP-5 |
| Column length (m) | 30. | 30. | 60. |
| Carrier gas | Hydrogen | Helium | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 30. |
| Tend (C) | 999. | 260. | 260. |
| Heat rate (K/min) | 5. | 1.5 | 2. |
| Initial hold (min) | 2. | ||
| Final hold (min) | 28. | ||
| I | 1486. | 1473. | 1484.5 |
| Reference | Bieri and Marriott, 2008 | Mondello, Casilli, et al., 2008 | Leffingwell and Alford, 2005 |
| 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.
Bieri and Marriott, 2008
Bieri, S.; Marriott, P.J.,
Dual-injection system with multiply injections for determining sidimentional retention indexes in comprehensive two-dimensional gas chromatography,
Anal. Chem., 2008, 80, 3, 760-768, https://doi.org/10.1021/ac071367q
. [all data]
Mondello, Casilli, et al., 2008
Mondello, L.; Casilli, A.; Tranchida, Q.; Sciarrone, D.; Dugo, P.; Dugo, G.,
Analysis of allergens in fragrances using multiple heart-cut multidimentional gas chromatography - mass spectrometry,
LC-GC Europe, 2008, 21, 130. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.