meso-2,3-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChIKey: OWBTYPJTUOEWEK-ZXZARUISSA-N
- CAS Registry Number: 5341-95-7
- 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: 2,3-Butanediol, meso-; (E)-2,3-butanediol; threo-2,3-Butanediol; erythro-2,3-Butanediol; meso-butane-2,3-diol; (R,S)-Butan-2,3-diol; 2,3-Butanediol (erythro-); 2,3-butanediol (erythro)
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Reaction thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C4H10O2 + C3H6O = C7H14O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -4.0 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, 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, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon L | 160. | 756. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 807. | Kim T.H., Kim T.H., et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 200. C @ 20. min |
Capillary | DB-1 | 759. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Capillary | DB-1 | 750. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1580. | Kim T.H., Kim T.H., et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 200. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 785. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 70. C; Tend: 290. C |
Capillary | HP-5 MS | 743. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | DB-1 | 768. | Buttery, Ling, et al., 1997 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 759. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1582. | 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 | HP-Innowax | 1546. | 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 Etr | 1606. | Perestrelo, Fernandes, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 2. K/min, 220. C @ 10. min |
Capillary | Carbowax 20M | 1567. | de la Fuente, Martinez-Castro, et al., 2005 | 50. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min |
Capillary | Carbowax 20M | 1532. | de la Fuente, Martinez-Castro, et al., 2005 | 50. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min |
Capillary | HP-Innowax | 1587. | Soria, Gonzalez, et al., 2004 | 50. m/0.2 mm/0.2 μm, He, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
Capillary | DB-Wax | 1537. | Osorio, Duque, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 1538. | Osorio, Duque, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 1576. | Buttery and Ling, 1998 | 30. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-Wax | 1591. | Wada and Shibamoto, 1997 | He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C |
Capillary | DB-Wax | 1525. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 4. min, 4. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 1538. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1537. | Tao, Wenlai, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C |
Capillary | Carbowax 20M | 1570. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Anteunis and Rommelaere, 1970
Anteunis, M.; Rommelaere, Y.,
NMR experiments on acetals. XXIX. The ease of acetonide formation of some glycols,
Bull. Soc. Chim. Belg., 1970, 79, 523-530. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Kim T.H., Kim T.H., et al., 2002
Kim T.H.; Kim T.H.; Shin J.H.; Yu E.J.; Kim Y.S.; Lee H.J.,
Characteristics of aroma-active compounds in the pectin-elicited suspension culture of Zanthoxylum piperitum (prickly ash),
Biotechnology Letters, 2002, 24, 7, 551-556, https://doi.org/10.1023/A:1014812508441
. [all data]
Bartelt, 1997
Bartelt, R.J.,
Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles,
Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [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]
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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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]
Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023
. [all data]
de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J.,
Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry,
J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018
. [all data]
Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J.,
Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data,
Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012
. [all data]
Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F.,
Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp,
J. Sep. Sci., 2002, 25, 3, 147-154, https://doi.org/10.1002/1615-9314(20020201)25:3<147::AID-JSSC147>3.0.CO;2-G
. [all data]
Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C.,
Additional studies on flavor components of corn tortilla chips,
J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b
. [all data]
Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T.,
Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j
. [all data]
Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J.,
Volatile constituents from Andes berry (Rubus glaucus Benth),
J. Hi. Res. Chromatogr., 1996, 19, 10, 585-587, https://doi.org/10.1002/jhrc.1240191011
. [all data]
Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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