2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- Formula: C13H22O
- Molecular weight: 194.3132
- IUPAC Standard InChI: InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
- IUPAC Standard InChIKey: QJJDNZGPQDGNDX-UHFFFAOYSA-N
- CAS Registry Number: 17283-81-7
- 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: α,β-Dihydro-β-ionone; β-Ionone, dihydro-; Dihydro-β-ionone; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone; 7,8-Dihydro-β-ionone; 1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one; β-7,8-Dihydroionone; 7,8-dehydro-β-ionone; 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one; 4-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Condensed phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | Ccb | Gadzhiev, Gubareva, et al., 1984 | uncertain value: -173.8 ± 2.3 kJ/mol; Undetermined error | ||
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | Ccb | Gadzhiev, Gubareva, et al., 1984 | uncertain value: -7901.8 ± 2.3 kJ/mol; Undetermined error |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | F.H.JOHNSON, PRINCETON UNIVERSITY, PRINCETON, N.J., USA |
| NIST MS number | 8458 |
References
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gadzhiev, Gubareva, et al., 1984
Gadzhiev, S.N.; Gubareva, A.I.; Gerasimov, P.A.; Beregovykh, V.V.,
Thermochemical study of intermediate products in vitamin A synthesis,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1984, 27, 247-248. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - 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.