2,3-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChIKey: OWBTYPJTUOEWEK-UHFFFAOYSA-N
- CAS Registry Number: 513-85-9
- 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:
- Stereoisomers:
- Other names: Butane-2,3-diol; Dimethylethylene glycol; 2,3-Butylene glycol; 2,3-Dihydroxybutane; D-2,3-Butane diol; 2,3-Butandiol; 2,3-Butanediol, isomer 1; 2,3-butanodiol; 2.3-Butanediol, isomer 3; 2,3-Butanediol, isomer 2
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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 | SPB-5 | DB-5 | DB-5 MS | HP-5MS |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1.00 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 35. | 40. | 60. | 40. | 38. |
Tend (C) | 220. | 230. | 280. | 200. | 220. |
Heat rate (K/min) | 10. | 3. | 5. | 8. | 5. |
Initial hold (min) | 1. | 5. | 0.5 | 3. | 1. |
Final hold (min) | 15. | 10. | 2. | 20. | 2. |
I | 795. | 789. | 806. | 803. | 782. |
Reference | Piyachaiseth, Jirapakkul, et al., 2011 | Sivadier, Ratel, et al., 2009 | Ozel, Gogus, et al., 2006 | Schirack, Drake, et al., 2006 | Krist, Stuebiger, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | SPB-5 | DB-5 | RSL-200 | DB-5 |
Column length (m) | 25. | 60. | 60. | 30. | 30. |
Carrier gas | N2/He | Helium | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.10 | 1.0 | 1. | 0.25 | 1. |
Tstart (C) | 50. | 30. | 40. | 40. | 40. |
Tend (C) | 250. | 230. | 200. | 280. | 200. |
Heat rate (K/min) | 6. | 3. | 3. | 6. | 3. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 5. | ||||
I | 824. | 783. | 779. | 780. | 790. |
Reference | Zenkevich, 2005 | Sebastian, Viallon-Fernandez, et al., 2003 | Joffraud, Leroi, et al., 2001 | Ngassoum, Jirovetz, et al., 2001 | Meynier, Novelli, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | DB-5 | DB-1 | DB-1 |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1. | |||
Tstart (C) | 30. | 40. | 40. | 30. | 30. |
Tend (C) | 200. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 4. | 3. | 3. | 4. | 4. |
Initial hold (min) | 25. | 5. | 5. | 25. | 25. |
Final hold (min) | 20. | 2. | 2. | 20. | 20. |
I | 756. | 779. | 782. | 768. | 746. |
Reference | Buttery, Ling, et al., 1997 | Kondjoyan, Viallon, et al., 1997 | Kondjoyan, Viallon, et al., 1997 | Buttery, Stern, et al., 1994 | Hansen, Buttery, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-1 |
Column length (m) | 30. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | 1.0 |
Tstart (C) | 40. |
Tend (C) | 250. |
Heat rate (K/min) | 3. |
Initial hold (min) | |
Final hold (min) | 30. |
I | 750. |
Reference | Peppard, 1992 |
Comment | 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.
Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]
Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E.,
Latency and persistence of diet volatile biomarkers in lamb fats,
J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q
. [all data]
Ozel, Gogus, et al., 2006
Ozel, M.Z.; Gogus, F.; Lewis, A.C.,
Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS,
Anal. Chim. Acta., 2006, 566, 2, 172-177, https://doi.org/10.1016/j.aca.2006.03.014
. [all data]
Schirack, Drake, et al., 2006
Schirack, A.V.; Drake, M.A.; Sander, T.H.; Sandeep, K.P.,
Characterization of aroma-active compounds in microwave blanched peanuts,
J. Food Sci., 2006, 71, 9, c513-c520, https://doi.org/10.1111/j.1750-3841.2006.00173.x
. [all data]
Krist, Stuebiger, et al., 2005
Krist, S.; Stuebiger, G.; Unterweger, H.; Bandion, F.; Buchbauer, G.,
Analysis of volatile compounds and triglycerides of seed oils extracted from different poppy varieties (Papaver somniferum L.),
J. Agric. Food Chem., 2005, 53, 21, 8310-8316, https://doi.org/10.1021/jf0580869
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [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]
Joffraud, Leroi, et al., 2001
Joffraud, J.J.; Leroi, F.; Roy, C.; Berdagué, J.L.,
Characterisation of volatile compounds produced by bacteria isolated from the spoilage flora of cold-smoked salmon,
Int. J. Food Microbiol., 2001, 66, 3, 175-184, https://doi.org/10.1016/S0168-1605(00)00532-8
. [all data]
Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G.,
SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub.,
Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330
. [all data]
Meynier, Novelli, et al., 1999
Meynier, A.; Novelli, E.; Chissolinim, R.; Zanardi, E.; Gandemer, G.,
Volatile compounds of commercial Milano salami,
Meat Sci., 1999, 51, 2, 175-183, https://doi.org/10.1016/S0309-1740(98)00122-3
. [all data]
Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J.,
Studies on popcorn aroma and flavor volatiles,
J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807
. [all data]
Kondjoyan, Viallon, et al., 1997
Kondjoyan, N.; Viallon, C.; Berdagué, J.L.; Daridan, D.; Simon, M.-N.; Legault, C.,
Analyse comparative de la fraction volatile de jambons secs de porcs Gascon et Large-White x Landrace Français,
J. Rech. C.N.R.S., 1997, 29, 405-410, retrieved from http://www.rennes.inra.fr/srp/jrp/1997/97txtQualite/Q9704.pdf. [all data]
Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C.,
Studies on flavor volatiles of some sweet corn products,
J. Agric. Food Chem., 1994, 42, 3, 791-795, https://doi.org/10.1021/jf00039a038
. [all data]
Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C.,
Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles,
J. Agric. Food Chem., 1992, 40, 5, 850-852, https://doi.org/10.1021/jf00017a029
. [all data]
Peppard, 1992
Peppard, T.L.,
Volatile flavor constituents of Monstera deliciosa,
J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018
. [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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