1,3-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChI: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
- IUPAC Standard InChIKey: PUPZLCDOIYMWBV-UHFFFAOYSA-N
- CAS Registry Number: 107-88-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Stereoisomers:
- Other names: β-Butylene glycol; Methyltrimethylene glycol; 1-Methyl-1,3-propanediol; 1,3-Butylene glycol; 1,3-Dihydroxybutane; Butane-1,3-diol; BD; 1,3-Butandiol; 1,3-Butylenglykol; 1,3-Butanodiol; Butanediol,1,3-; (RS)-1,3-Butanediol; Butylene glycol; NSC 402145
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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 | HP-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 60. | 60. | 30. | 60. | 60. |
| Carrier gas | Helium | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 1. | 1. | 1. | 1. |
| Tstart (C) | 35. | 40. | 40. | 40. | 40. |
| Tend (C) | 220. | 240. | 200. | 200. | 200. |
| Heat rate (K/min) | 10. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 1. | 5. | 5. | 5. | |
| Final hold (min) | 15. | 2. | 2. | ||
| I | 785. | 815. | 777. | 782. | 789. |
| Reference | Piyachaiseth, Jirapakkul, et al., 2011 | García, Martín, et al., 2000 | Meynier, Novelli, et al., 1999 | Kondjoyan, Viallon, et al., 1997 | Kondjoyan, Viallon, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Ultra-2 |
| Column length (m) | 50. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.52 |
| Tstart (C) | 40. |
| Tend (C) | 250. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 3. |
| Final hold (min) | 30. |
| I | 788. |
| Reference | King, Matthews, et al., 1995 |
| 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]
García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J.,
Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham,
Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x
. [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]
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]
King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking,
J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039
. [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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