1,4-Butanediol

C₄H₁₀O₂CAS 110-63-490.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₂
Molar mass: 90.12 g/mol
Exact mass: 90.0681 Da
Density: 1.0171 g/mL (at 20 °C)
Melting point: 20.1 °C
Boiling point: 230 °C
logP: -0.25Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

110-63-4

SMILES

OCCCCO

InChIKey

WERYXYBDKMZEQL-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

19 names · show all

Diol 14B
1,4-Butylene glycol
1,4-Dihydroxybutane
Sucol B
Tetramethylene glycol
1,4-Tetramethylene glycol
Tetramethylene 1,4-diol
Butylene glycol
Polycure D
Dabco DBO
Vibracure A 250
NSC 406696
ZM 0025
1,4BD
14BG
Addolink B
U 7085
Bio-BDO
B 0680

Work with 1,4-Butanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities 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

Same formula

1,3-Butanediol107-88-0 Propylene glycol methyl ether107-98-2 Dimethoxyethane110-71-4 2-Ethoxyethanol110-80-5 2-Methoxy-1-propanol1589-47-5 3-Methoxy-1-propanol1589-49-7 (+)-2,3-Butanediol19132-06-0 2-Methyl-1,3-propanediol2163-42-0

Elsewhere

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