| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:34 UTC |
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| Update date | 2017-01-19 02:36:35 UTC |
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| FoodComEx ID | PC000764 |
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| FoodDB Record | FDB011934 |
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| Chemical Information |
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| Name | 2,3-Butanediol |
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| Description | 2,3-Butanediol is one of the constitutional isomers of butanediol. The 2R,3R stereoisomer of 2,3-butanediol is produced by a variety of microorganisms, in a process known as butanediol fermentation. It is found in cocoa butter and in the roots of Ruta graveolens. |
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| CAS Number | 513-85-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2,3-Butandiol | biospider | | 2,3-Butanodiol | biospider | | 2,3-Butylene glycol | db_source | | 2,3-Dihydroxybutane | biospider | | Butane-2,3-diol | biospider | | D-2,3-Butane diol | HMDB | | Dimethylene glycol | ChEBI | | Dimethylethylene glycol | db_source | | DL-2,3-Butanediol | biospider | | Pseudobutylene glycol | ChEBI | | Sym-dimethylethylene glycol | ChEBI |
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| Chemical Formula | C4H10O2 |
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| IUPAC name | butane-2,3-diol |
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| InChI Identifier | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 |
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| InChI Key | OWBTYPJTUOEWEK-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(O)C(C)O |
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| Average Molecular Weight | 90.121 |
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| Monoisotopic Molecular Weight | 90.068079564 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Alcohols and polyols |
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| Direct Parent | 1,2-diols |
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| Alternative Parents | |
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| Substituents | - Secondary alcohol
- 1,2-diol
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | -0.92 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 1000 mg/mL at 20 oC | RIDDICK,JA et al. (1986) |
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| Melting Point | 25 oC | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 10 mg |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | 7110AF |
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| MetaSci | HMDB0003156 |
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| Tokyo Chemical Industry | HMDB0003156 |
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| Toronto Research Chemicals | B690020 |
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