1,2-Butanediol

C₄H₁₀O₂CAS 26171-83-590.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₂
Molar mass: 90.12 g/mol
Exact mass: 90.0681 Da
Density: 1.0023 g/mL (at 20 °C)
Melting point: −50 °C
Boiling point: 195–196.9 °C
logP: -0.25Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

26171-83-5

SMILES

CCC(O)CO

InChIKey

BMRWNKZVCUKKSR-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

1,2-Butylene glycol
1,2-Dihydroxybutane
DL-1,2-Butanediol
(±)-Butane-1,2-diol
NSC 24242

Work with 1,2-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

(2R)-1,2-Butanediol40348-66-1100 % similar 1,2-Butanediol584-03-2100 % similar 3-Pentanol584-02-165 % similar Polyglycerol25618-55-759 % similar Glycerol56-81-559 % similar (3R,6R)-3,6-Octanediol129619-37-058 % similar 1,2-Pentanediol5343-92-055 % similar Bis(2,3-dihydroxypropyl) ether627-82-752 % 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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