2,3-Butanediol

C₄H₁₀O₂CAS 513-85-990.12 g/mol

Open in Covalent MOL file

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
logP: -0.25Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

513-85-9

SMILES

CC(O)C(C)O

InChIKey

OWBTYPJTUOEWEK-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

Weigh 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

Similar compounds

(+)-2,3-Butanediol19132-06-0100 % similar (2R,3R)-Butanediol24347-58-8100 % similar 3-Methyl-2,4-pentanediol5683-44-362 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Butanediol107-88-0 Propylene glycol methyl ether107-98-2 1,4-Butanediol110-63-4 Dimethoxyethane110-71-4 2-Ethoxyethanol110-80-5 Propylene glycol monomethyl ether1320-67-8 2-Methoxy-1-propanol1589-47-5 3-Methoxy-1-propanol1589-49-7

Elsewhere

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