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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB100084 |
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Identification |
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| Name: |
2,3-Butanediol |
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| Description: | A butanediol in which hydroxylation is at C-2 and C-3 (end product of bacterial fermentation from species that coexist with P. aeruginosa in the lung of cystic fibrosis patients). |
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Structure |
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| Synonyms: |
- 2,3-Butanediol
- 2,3-Butylene Glycol
- 2,3-Butyleneglycol
- 2,3-Dihydroxybutane
- butane-2,3-diol
- Dimethylethylene glycol
- DL-2,3-BUTANDIOL
- DL-2,3-Butanediol
- Pseudobutylene glycol
- Sym-dimethylethylene glycol
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Chemical Formula: |
C4H10>O |
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| Average Molecular Weight: |
90.121 |
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| Monoisotopic Molecular
Weight: |
90.068077 |
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| InChI Key: |
OWBTYPJTUOEWEK-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 |
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| CAS
number: |
513-85-9 |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
butane-2,3-diol |
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| SMILES: | CC(C(C)O)O |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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 |
- secondary alcohol, glycol, butanediol (CHEBI:62064)
- a 2,3-butanediol (CPD-346)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | Not Available |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
| Property | Value | Source |
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| Density | 1.0±0.1 g/cm3 | ACDLabs | | Boiling Point | 180.7±0.0 °C at 760 mmHg | ACDLabs | | Vapor Pressure | 0.3±0.7 mmHg at 25°C | ACDLabs | | Enthaply of Vaporization | 48.5±6.0 kJ/mol | ACDLabs | | Flash Point | 85.0±0.0 °C | ACDLabs | | Index of Refraction | 1.435 | ACDLabs | | Molar Refractivity | 23.6±0.3 cm3 | ACDLabs | | Log P | -0.99 | ACDLabs |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Castillo-Juárez I, Maeda T, Mandujano-Tinoco EA, et al. Role of quorum sensing in bacterial infections. World Journal of Clinical Cases?: WJCC. 2015;3(7):575-598. Pubmed: 4517333
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
Not Available |
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