| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:02:57 UTC |
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| Update Date | 2020-05-11 20:57:13 UTC |
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| BMDB ID | BMDB0003156 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2,3-Butanediol |
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| Description | 2,3-Butanediol, also known as butane-2,3-diol, belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. 2,3-Butanediol exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on 2,3-Butanediol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2,3-Butylene glycol | ChEBI | | 2,3-Dihydroxybutane | ChEBI | | Dimethylene glycol | ChEBI | | Dimethylethylene glycol | ChEBI | | Pseudobutylene glycol | ChEBI | | Sym-dimethylethylene glycol | ChEBI | | 2,3-Butylene glycol, (r*,r*)-isomer | MeSH | | 2,3-Butylene glycol, (r*,r*,)-(+-)-isomer | MeSH | | 2,3-Butylene glycol, (r*,s*)-isomer | MeSH | | 2,3-Butylene glycol, (S-(r*,r*))-isomer | MeSH | | 2,3-Butylene glycol, R-(r*,r*)-isomer | MeSH | | Butane-2,3-diol | MeSH | | 2,3-Butandiol | HMDB | | 2,3-Butanodiol | HMDB | | D-2,3-Butane diol | HMDB | | 2,3-Butanediol | ChEBI |
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| Chemical Formula | C4H10O2 |
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| Average Molecular Weight | 90.121 |
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| Monoisotopic Molecular Weight | 90.068079564 |
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| IUPAC Name | butane-2,3-diol |
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| Traditional Name | 2,3-butanediol |
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| CAS Registry Number | 513-85-9 |
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| SMILES | CC(O)C(C)O |
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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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| 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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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 25 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 1000 mg/mL at 20 °C | Not Available | | LogP | -0.92 | HANSCH,C ET AL. (1995) |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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