2,3-Butanediol
Properties
- Molecular formula
- C4H10O2
- Molar mass
- 90.12 g/mol
- Exact mass
- 90.0681 Da
- Density
- 1.0033 g/mL (at 20 °C)
- Melting point
- 7.6 °C
- Boiling point
- 182 °C
- pKa
- 14.9 (25 °C)
- Flash point
- 85 °C (closed cup)
- Water solubility
- miscible (20 °C)
- logP
- -0.25Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Not classified as hazardous under GHS by 220 ECHA notifiers. Aggregated from 220 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
513-85-9SMILES
CC(O)C(C)OInChIKey
OWBTYPJTUOEWEK-UHFFFAOYSA-NInChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 2,3-Dihydroxybutane
- Dimethylethylene glycol
- 2,3-Butylene glycol
- 1,2-Dimethyl-1,2-ethanediol
Work with 2,3-Butanediol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-Methyl-2,4-pentanediol5683-44-362 % similar
3-Methyl-2-butanol598-75-462 % similar
1-Cyclopropylethanol765-42-453 % similar
Rel-(2R,3S)-3-Mercapto-2-butanol37887-04-050 % similar
3-Mercapto-2-butanol54812-86-150 % similar
1-Cyclopentylethanol52829-98-847 % similar
1-Cyclohexylethanol1193-81-344 % similar
Titanium isopropoxide546-68-943 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.