chempirical

1,3-Butanediol

C4H10O2CAS 107-88-090.12 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
1.0059 g/mL (at 20 °C)
Melting point
below −50 °C
Boiling point
207.5 °C
logP
-0.25Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
107-88-0
SMILES
CC(O)CCO
InChIKey
PUPZLCDOIYMWBV-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • β-Butylene glycol
  • 1,3-Butylene glycol
  • 1,3-Dihydroxybutane
  • Methyltrimethylene glycol
  • 1-Methyl-1,3-propanediol
  • Butylene glycol
  • 3-Hydroxy-1-butanol
  • DL-1,3-Butanediol
  • (±)-Butane-1,3-diol
  • (RS)-1,3-Butanediol
  • NSC 402145
  • 13BGK
  • Jeechem bugl
  • Niax DP 1022
  • Haisugarcane BG
  • Celtol 1,3-BG

Work with 1,3-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

Propylene glycol methyl ether107-98-2 1,4-Butanediol110-63-4 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia