2(5H)-Furanone, 5,5-dimethyl-
- Formula: C6H8O2
- Molecular weight: 112.1265
- IUPAC Standard InChI: InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3
- IUPAC Standard InChIKey: YNKQMZRTPPVLLL-UHFFFAOYSA-N
- CAS Registry Number: 20019-64-1
- 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: 4,4-Dimethyl-2-buten-4-olide; 4,4-Dimethyl-2-butenolide; 4,4-Dimethylbut-2-enolide; 5,5-Dimethyl-2(5H)-furanone; 5,5-Dimethylbut-3-enolide; 5,5-Dimethylfuran-2(5H)-one; 4,4-Dimethylcrotonolactone; 4-Methyl-2-pentenolide
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- Other data available:
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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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5MS | HP-5 | HP-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 60. | 50. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 70. | 50. | 60. | 30. | 0. |
| Tend (C) | 290. | 250. | 246. | 260. | 250. |
| Heat rate (K/min) | 5. | 7. | 3. | 2. | 3. |
| Initial hold (min) | 1. | 2. | |||
| Final hold (min) | 10. | 5. | 28. | ||
| I | 945. | 960. | 958. | 962.1 | 946. |
| Reference | Radulovic, Dordevic, et al., 2010 | Zouari, Zouari, et al., 2010 | Coronel, Cerda-Garcia-Rojas, et al., 2006 | Leffingwell and Alford, 2005 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 50. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 946. |
| Reference | Habu, Flath, et al., 1985 |
| Comment | 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.
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Zouari, Zouari, et al., 2010
Zouari, S.; Zouari, N.; Fakhfakh, N.; Bougatel, A.; Ayadi, M.A.; Neffati, M.,
Chemical composition and biological activities of a new essential oil chemotype of Tunisian Artemisia herba alba Asso,
J. Medicinal Plants Res., 2010, 4, 10, 871-880. [all data]
Coronel, Cerda-Garcia-Rojas, et al., 2006
Coronel, A. del.C.; Cerda-Garcia-Rojas, C.M.; Joseph-Nathan, P.; Catalán, C.A.N.,
Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil of Lippia integrifolia,
Flavour Fragr. J., 2006, 21, 5, 839-847, https://doi.org/10.1002/ffj.1736
. [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]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [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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