2(3H)-Furanone, 5-ethenyldihydro-5-methyl-
- Formula: C7H10O2
- Molecular weight: 126.1531
- IUPAC Standard InChIKey: QESPSAHXYXIGBG-UHFFFAOYSA-N
- CAS Registry Number: 1073-11-6
- 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: 2(3H)-Furanone, dihydro-5-methyl-5-vinyl-; 5-Methyl-5-vinyldihydrofuran-2(3H)-one; γ-Vinyl-γ-valerolactone; 4-Methyl-4-vinyl-1,4-butanolide; 4-Methyl-4-vinylbutyrolactone; Dihydro-5-methyl-5-vinyl-2(3H)-furanone; 5-Hexenoic acid, 4-hydroxy-4-methyl-, γ-lactone; 4-Methyl-5-hexen-4-olide; 5-Ethenyldihydro-5-methyl-2(3H)-furanone; Lavender lactone; (3H)-Furanone, 5-ethenyldihydro-5-methyl-; γ-Methyl-γ-vinyl-γ-butyrolactone; 5-Ethenyl-5-methyl-2(3H)furanone; lavander lactone; dihydro-5-methyl-5-vinylfuran-2(3H)-one
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
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Additional Data
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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. |
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Origin | D.FELIX VARIAN AG. RES. LAB., ZURICH, SWITZERLAND |
NIST MS number | 38860 |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1046. | Avato, Raffo, et al., 2004 | 30. m/0.25 mm/0.25 μm, H2, 4. K/min, 280. C @ 30. min; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Petro | 996.8 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
Capillary | DB-Petro | 996.8 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
Capillary | HP-5MS | 1041. | Salido, Altarejos, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1679. | Cho, Choi, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 1684. | Cho, Choi, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min |
Capillary | Supelcowax-10 | 1689. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | DB-Wax | 1669. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 1039. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 1042. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | HP-5 | 1043.0 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | DB-5 | 1071. | Miyazawa, Fuhita, et al., 2004 | Helium, 2. K/min, 240. C @ 999. min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C |
Capillary | DB-5 | 1071. | Miyazawa, Fujita, et al., 2004 | Helium, 2. K/min, 240. C @ 999. min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Capillary | DB-1 | 1036. | Perez-Alonso, Velasco-Negueruela, et al., 2003 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5 MS | 1035. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 1043. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | CBP-5 | 1090. | Cheriti, Saad, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 3C/min => 240C => 10C/min => 300C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1690. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | DB-Wax | 1683. | Ito, Sugimoto, et al., 2002 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Carbowax 20M | 1635. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax FSC | 1690. | Saglam, Gozler, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Avato, Raffo, et al., 2004
Avato, P.; Raffo, F.; Aldouri, N.A.; Vartanian, S.T.,
Essential oils of varthemia iphionoides from Jordan,
Flavour Fragr. J., 2004, 19, 6, 559-561, https://doi.org/10.1002/ffj.1351
. [all data]
Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G.,
Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography,
J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471
. [all data]
Salido, Altarejos, et al., 2001
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.,
Chemical composition of the essential oil of Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl.,
J. Essent. Oil Res., 2001, 13, 4, 221-224, https://doi.org/10.1080/10412905.2001.9699675
. [all data]
Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S.,
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades,
J. Agric. Food Chem., 2006, 54, 13, 4820-4825, https://doi.org/10.1021/jf0601416
. [all data]
Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
. [all data]
Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y.,
Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography,
J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168
. [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]
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]
Miyazawa, Fuhita, et al., 2004
Miyazawa, M.; Fuhita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 10, 511-513, https://doi.org/10.5650/jos.53.511
. [all data]
Miyazawa, Fujita, et al., 2004
Miyazawa, M.; Fujita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 11, 511-513, https://doi.org/10.5650/jos.53.511
. [all data]
Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0
. [all data]
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
Cheriti, Saad, et al., 2007
Cheriti, A.; Saad, A.; Belboukhari, N.; Ghezali, S.,
The essential oil composition of Bubonium graveolens (Forssk.) Maire from the algerian Sahara,
Flavour Fragr. J., 2007, 22, 4, 286-288, https://doi.org/10.1002/ffj.1794
. [all data]
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K.,
Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac,
J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C.,
Volatile compounds from Haplophyllum myrtifolium,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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