2(3H)-Furanone, dihydro-5-methyl-
- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChIKey: GAEKPEKOJKCEMS-UHFFFAOYSA-N
- CAS Registry Number: 108-29-2
- 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:
- Other names: γ-Methyl-γ-butyrolactone; γ-Pentalactone; γ-Valerolactone; Pentanoic acid, 4-hydroxy-, γ-lactone; 4-Hydroxypentanoic acid lactone; 4-Hydroxyvaleric acid lactone; 4-Methyl-γ-butyrolactone; 4-Pentanolide; 4-Valerolactone; γ-Pentanolactone; γ-Valerolakton; Dihydro-5-methyl-2(3H)-furanone; Valeric acid, 4-hydroxy-, gamma-lactone; gamma-Valerolactone; 5-Methyldihydrofuran-2(3H)-one; 5-methyltetrahydrofuran-2-one; Dihydro-5-methyl-2-furanone; (.+/-.)-γ-Valerolactone; (.+/-.)-4-Methylbutyrolactone; 5-Methyltetrahydro-2-furanone; NSC 33700; Valeric acid, 4-hydroxy-, γ-lactone; 5-Methyldihydro-2(3H)-furanone; Pentan-4-olide; 5-Methyloxolan-2-one; Valerolactone
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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 | HP-5 MS | VF-5 MS | VF-5 MS | HP-5 MS |
Column length (m) | 30. | 30. | 60. | 60. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 30. | 30. | 60. |
Tend (C) | 320. | 300. | 260. | 260. | 300. |
Heat rate (K/min) | 5. | 15. | 2. | 2. | 15. |
Initial hold (min) | 5. | 2. | 2. | ||
Final hold (min) | 10. | 28. | 28. | 10. | |
I | 950. | 966. | 953. | 958. | 966. |
Reference | Nawrath, Mgode, et al., 2012 | Xu, Han, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Xu, Han, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 | BPX5 | HP-5 | SPB-5 | OV-101 |
Column length (m) | 30. | 25. | 60. | 60. | 50. |
Carrier gas | He | Helium | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.32 | 0.32 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.0 | |
Tstart (C) | 40. | 50. | 30. | 30. | 80. |
Tend (C) | 250. | 320. | 260. | 230. | 200. |
Heat rate (K/min) | 20. | 5. | 2. | 3. | 2. |
Initial hold (min) | 5. | 5. | 2. | ||
Final hold (min) | 28. | ||||
I | 962. | 976. | 962.3 | 950. | 921. |
Reference | Pham, Schilling, et al., 2008 | Dickschat, Bode, et al., 2005 | Leffingwell and Alford, 2005 | Sebastian, Viallon-Fernandez, et al., 2003 | Egolf and Jurs, 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | DB-1 | OV-101 | OV-101 |
Column length (m) | 50. | 50. | 50. | 50. |
Carrier gas | He | He | ||
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.31 | 0.31 |
Phase thickness (μm) | ||||
Tstart (C) | 0. | 50. | 0. | 0. |
Tend (C) | 250. | 250. | 225. | 225. |
Heat rate (K/min) | 3. | 3. | 3. | 3. |
Initial hold (min) | 1. | 1. | ||
Final hold (min) | ||||
I | 943. | 943. | 912. | 918. |
Reference | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | del Rosario, de Lumen, et al., 1984 |
Comment | MSDC-RI | 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.
Nawrath, Mgode, et al., 2012
Nawrath, T.; Mgode, G.F.; Weetjens, B.; Kaufmann, S.H.E.; Schulz, S.,
The volatiles of pathogenic and nonpathogenic mycobacteria aand related bacteria,
Beilstein J. Org. Chem., 2012, 8, 290-297, https://doi.org/10.3762/bjoc.8.31
. [all data]
Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, 2012, retrieved from http://www.thefreelibrary.com/Comparative .... [all data]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus,
Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014
. [all data]
Pham, Schilling, et al., 2008
Pham, A.J.; Schilling, M.W.; Yoon, Y.; Kamadia, V.V.; Marshall, D.L.,
Characterization of fish sauce aroma-impact compounds using GC-MS, SPME-Osme-GCO, and Stevens' power law exponents,
J. Food. Sci., 2008, 73, 4, c268-c274, https://doi.org/10.1111/j.1750-3841.2008.00709.x
. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S.,
Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca,
ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174
. [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]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [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]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [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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