2(3H)-Furanone, 5-methyl-
- Formula: C5H6O2
- Molecular weight: 98.0999
- 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
The 3d structure may be viewed using Java or Javascript. - 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, 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 | HP-5 MS | ZB-5 | HP-5 MS | 5 % Phenyl methyl siloxane | SPB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
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) | 70. | 40. | 35. | 50. | 60. |
Tend (C) | 290. | 280. | 195. | 250. | 250. |
Heat rate (K/min) | 5. | 6. | 2. | 3. | 4. |
Initial hold (min) | 1. | 5. | 2. | ||
Final hold (min) | 10. | 9. | 30. | 20. | |
I | 869. | 867. | 865. | 864. | 861. |
Reference | Radulovic, Blagojevic, et al., 2010 | Harrison and Priest, 2009 | Kim and Chung, 2009 | Zellner, Bicchi, et al., 2008 | Pino, Marquez, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | ZB-5 | DB-5 |
Column length (m) | 60. | 30. |
Carrier gas | He | Hydrogen |
Substrate | ||
Column diameter (mm) | 0.25 | 0.35 |
Phase thickness (μm) | 0.25 | 1.0 |
Tstart (C) | 40. | 45. |
Tend (C) | 260. | 220. |
Heat rate (K/min) | 6. | 2. |
Initial hold (min) | 4.6 | |
Final hold (min) | 1. | |
I | 884. | 901. |
Reference | Jürgens and Dötterl, 2004 | Georgilopoulos and Gallois, 1988 |
Comment | 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.
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [all data]
Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y.,
GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit,
J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088
. [all data]
Zellner, Bicchi, et al., 2008
Zellner, B.d'A.; Bicchi, C.; Dugo, P.; Rubiolo, P.; Dugo, G.; Mondello, L.,
Linear retention indices in gas chromatographic analysis: a review,
Flavour Fragrance J., 2008, 23, 5, 297-314, https://doi.org/10.1002/ffj.1887
. [all data]
Pino, Marquez, et al., 2006
Pino, J.A.; Marquez, E.; Marbot, R.,
Volatile constituents from tea of roselle (Hibiscus sabdariffa L.),
Rev. CENIC Ciencias Quimicas, 2006, 37, 3, 127-129. [all data]
Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
. [all data]
Georgilopoulos and Gallois, 1988
Georgilopoulos, D.N.; Gallois, A.N.,
Flavour compounds of a commercial concentrated blackberry juice,
Food Chem., 1988, 28, 2, 141-148, https://doi.org/10.1016/0308-8146(88)90143-4
. [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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