2(3H)-Furanone, 5-methyl-
- Formula: C5H6O2
- Molecular weight: 98.0999
- IUPAC Standard InChI: InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
- IUPAC Standard InChIKey: QOTQFLOTGBBMEX-UHFFFAOYSA-N
- CAS Registry Number: 591-12-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: α-Angelica lactone; β,γ-Angelica lactone; δ2-Angelica lactone; 3-Pentenoic acid, 4-hydroxy-, γ-lactone; 4-Hydroxy-3-pentenoic acid γ-lactone; 5-Methylfuran-2(3H)-one; Penten-3-oic acid, 4-hydroxy-, γ-lactone; 4-Hydroxypent-3-enoic acid lactone; γ-Methyl-β,γ-crotonolactone; 5-Methyl-2(3H)-furanone; 2,3-Dihydro-5-methyl-2-furanone; 2-Oxo-5-methyl-2,3-dihydrofuran; NSC 654; Angelica lactone; 2,3-Dihydro-5-methylfuran-2-one; 5-Methyl-3H-furan-2-one; 5-Methyl-2(3H)-furanone (α-angelicalactone)
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Normal alkane RI, non-polar column, custom temperature program
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 |
|---|---|---|---|
| Active phase | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | DB-5 MS |
| Column length (m) | 30. | ||
| Carrier gas | Helium | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | ||
| Phase thickness (μm) | 0.25 | ||
| Program | not specified | not specified | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
| I | 874. | 885. | 873. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Cajka, Hajslova, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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