3-Buten-1-ol, 3-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: CPJRRXSHAYUTGL-UHFFFAOYSA-N
- CAS Registry Number: 763-32-6
- 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. - Other names: Isobutenylcarbinol; Isopropenylethyl alcohol; 2-Methyl-1-buten-4-ol; 3-Isopentenyl alcohol; 3-Methyl-3-buten-1-ol; Methallyl carbinol; 3-methyl-3-butenol; 3-methylbut-3-en-1-ol; Methyl-3-but-3-en-1-ol; 3-Methyl-3-butene-1-ol; 3-Buten-3-methyl-1-ol
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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 | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | DB-5 | HP-5 | HP-1 | DB-5 MS |
Column length (m) | 30. | 30. | 60. | 50. | 60. |
Carrier gas | Helium | Helium | Helium | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 1.0 |
Program | not specified | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
I | 731. | 757. | 742. | 715. | 735. |
Reference | Pino, Marquez, et al., 2010 | Courtois, Paine, et al., 2009 | Rotsatschakul, Visesanguan, et al., 2009 | Barra, Baldovini, et al., 2007 | Liu, Xu, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | HP-5MS | BPX-5 | Methyl Silicone | HP-5 |
Column length (m) | 30. | 60. | 50. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 1.05 | ||
Program | not specified | 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) | 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) | not specified | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
I | 730. | 736. | 737. | 730. | 734. |
Reference | Kou, Zhang, et al., 2006 | Alissandrakis, Kibaris, et al., 2005 | Duflos, Moine, et al., 2005 | Fu and Wang, 2004 | Garcia-Estaban, Ansorena, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | CP Sil 5 CB | CP Sil 5 CB | DB-1 | methyl silicone oil with 5% Igepal |
Column length (m) | 50. | 50. | 50. | 60. | 150. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.75 |
Phase thickness (μm) | 1.05 | 1.2 | |||
Program | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C | 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C | not specified | not specified |
I | 734. | 702. | 702. | 711. | 710. |
Reference | Garcia-Estaban, Ansorena, et al., 2004, 2 | Guyot, Scheirman, et al., 1999 | Guyot, Bouseta, et al., 1998 | Binder, Flath, et al., 1989 | Schultz, Flath, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | methyl silicone oil with 5% Igepal |
Column length (m) | 150. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.75 |
Phase thickness (μm) | |
Program | not specified |
I | 745. |
Reference | Schultz, Flath, et al., 1988 |
Comment | 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.
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S.,
Changes in volatile compounds during fermentation of nham (Thai fermented sausage),
Int. Food Res. J., 2009, 16, 391-414. [all data]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H.,
Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x
. [all data]
Kou, Zhang, et al., 2006
Kou, J.; Zhang, S.; Hu, Y.; Qiao, H.; Li, J.,
Stidy on the relationships between structures and gas chromatographic retention indices of alcohols,
Comput. Appl. Chem. (Chinese), 2006, 23, 7, 651-654. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Duflos, Moine, et al., 2005
Duflos, G.; Moine, F.; Coin, V.M.; Malle, P.,
Determination of volatile compounds in whiting (Merlangius merlangus) using headspace-solid-phase microextraction-gas chromatography-mass spectrometry,
J. Chromatogr. Sci., 2005, 43, 6, 304-312, https://doi.org/10.1093/chromsci/43.6.304
. [all data]
Fu and Wang, 2004
Fu, S.-P.; Wang, Y.-Q.,
Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector,
J. Chongqing Univ., 2004, 27, 6, 106-109. [all data]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826
. [all data]
Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
. [all data]
Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S.,
Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea,
Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8
. [all data]
Guyot, Bouseta, et al., 1998
Guyot, C.; Bouseta, A.; Scheirman, V.; Collin, S.,
Floral origin markers of chestnut and lime tree honeys,
J. Agric. Food Chem., 1998, 46, 2, 625-633, https://doi.org/10.1021/jf970510l
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Schultz, Flath, et al., 1988
Schultz, T.H.; Flath, R.A.; Stern, D.J.; Mon, T.R.; Teranishi, R.; McKenna Kruse, S.; Butlder, B.; Howard, W.E.,
Coyote estrous urine volatiles,
J. Chem. Ecol., 1988, 14, 2, 701-712, https://doi.org/10.1007/BF01013917
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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