3-Methyl-2-(2-methyl-2-butenyl)-furan

Formula: C₁₀H₁₄O
Molecular weight: 150.2176
IUPAC Standard InChI: InChI=1S/C10H14O/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3
IUPAC Standard InChIKey: UTSGPHXOHJSDBC-UHFFFAOYSA-N
CAS Registry Number: 15186-51-3
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: Furan, 3-methyl-2-(3-methyl-2-butenyl)-; Rosefuran; α-Naginatene; Furan, 3-methyl-2-(3-methyl-2-buten-1-yl)-; 2-(3-methyl-2-butenyl)-3-methylfuran; 2-(3'-methyl-2'-butenyl)-3-methylfuran
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1079.	Boti J.B., Koukoua G., et al., 2005	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	HP-5	1095.	Javidnia, Miri, et al., 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 260. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1104.3	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	1400.	Boti J.B., Koukoua G., et al., 2005	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5 MS	1093.	Mesa-Arango, Betancur-Galvis, et al., 2010	60. m/0.25 mm/0.25 μm, Helium, 40. C @ 15. min, 5. K/min, 250. C @ 15. min
Capillary	DBP-5	1065.	Heravi and Sereshti, 2007	25. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min
Capillary	DBP-5	1065.	Sereshti and Samadi, 2007	25. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min
Capillary	CP Sil 5 CB	1087.	Tesso, König, et al., 2006	H2, 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 230. C
Capillary	DB-1	1099.	Nishimura, 1995	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 80. C; T_end: 210. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	1090.	Vinogradov, 2004	Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Innowax FSC	1415.	Baser, Demirci, et al., 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
Capillary	HP Innowax FSP	1413.	Wedge, Klun, et al., 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min)
Capillary	Carbowax 20M	1375.	Vinogradov, 2004	Program: not specified
Capillary	HP-Innowax	1415.	Baser, Demirci, et al., 2002	60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
Capillary	Innowax	1412.	Baser, Özek, et al., 2000	60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C

References

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Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J., Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy, Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857 . [all data]

Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Kamalinejad, M.; Edraki, N., Chemical composition of Ferula persica Wild. essential oil from Iran, Flavour Fragr. J., 2005, 20, 6, 605-606, https://doi.org/10.1002/ffj.1496 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Mesa-Arango, Betancur-Galvis, et al., 2010
Mesa-Arango, A.C.; Betancur-Galvis, L.; Montiel, J.; Bueno, J.G.; Baena, A.; Duran, D.C.; Martinez, J.R.; Stashenko, E.E., Antifungal activity and chemical composition of the essential oils of Lippia alba (Miller) N.E. Brown grown in different regions of Colombia, J. Essential Oil Res., 2010, 22, 6, 568-574, https://doi.org/10.1080/10412905.2010.9700402 . [all data]

Heravi and Sereshti, 2007
Heravi, M.J.; Sereshti, H., Determination of Essential Oil Components of Artemisia haussknechtii Boiss. using Simultaneous Hydrodistillation-Static Headspace Liquid Phase Microextraction - Gas Chromatography Mass Spectrometry, J. Chromatogr. A, 2007, 1160, 1-2, 81-89, https://doi.org/10.1016/j.chroma.2007.05.096 . [all data]

Sereshti and Samadi, 2007
Sereshti, H.; Samadi, S., Comparison of hydrodistillation-headspace liquid phase microextraction techniques with hydrodistillation in determination of essential oils in Artemisia Haussknechtii Boiss, JSUT, 2007, 33, 2, 7-17. [all data]

Tesso, König, et al., 2006
Tesso, H.; König, W.A.; Son, P.T.; Giang, P.M., Composition of the essential oil of flowers of Chloranthus spicatus (Thunb.) Makino, Flavour Fragr. J., 2006, 21, 4, 592-597, https://doi.org/10.1002/ffj.1528 . [all data]

Nishimura, 1995
Nishimura, O., Identification of the characteristic odorants in fresh rhizomes of ginger (Zingiber officinale Roscoe) using aroma extract dilution analysis and modified multidimensional gas chromatography-mass spectroscopy, J. Agric. Food Chem., 1995, 43, 11, 2941-2945, https://doi.org/10.1021/jf00059a031 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Baser, Demirci, et al., 2009
Baser, K.H.C.; Demirci, B.; Kurkcuoglu, M.; Satin, F.; Tumen, G., Comparative morphological and phytochemical charactertization of Salvia cadmica and S. smyrnaea, Pak. J. Bot., 2009, 41, 4, 1545-1555. [all data]

Wedge, Klun, et al., 2009
Wedge, D.E.; Klun, J.A.; Tabanca, N.; Demirci, B.; Ozek, T.; Baser, K.H.C.; Liu, Z.; Zhang, S.; Cantrell, C.L.; Zhang, J., Bioactivity-guided fractionation and GC/MS fingerprinting of Amgelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity, J. Agric. Food Chem., 2009, 57, 2, 464-470, https://doi.org/10.1021/jf802820d . [all data]

Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G., The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey, Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036 . [all data]

Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H., Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey, Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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