1,4-Butanediol

C4H10O2CAS 110-63-490.12 g/mol

Open in Covalent MOL file
HOOH
Alcohol

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
pKa
14.5
Flash point
134 °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
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,080 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, P501

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

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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

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 110-63-4. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 1,4-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.

Polytetrahydrofuran25190-06-1

Similar compounds

1,5-Pentanediol111-29-589 % similar 1,10-Decanediol112-47-089 % similar 1,13-Tridecanediol13362-52-289 % similar 1,14-Tetradecanediol19812-64-789 % similar 1,18-Octadecanediol3155-43-989 % similar 1,9-Nonanediol3937-56-289 % similar 1,12-Dodecanediol5675-51-489 % similar 1,6-Hexanediol629-11-889 % 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 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 (+)-2,3-Butanediol19132-06-0

Elsewhere

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