chempirical

1,3-Propanediol

C3H8O2CAS 504-63-276.09 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C3H8O2
Molar mass
76.09 g/mol
Exact mass
76.0524 Da
Density
1.0573 g/mL (at 15 °C)
Melting point
−26.7 °C
Boiling point
214.4 °C
logP
-0.64Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
504-63-2
SMILES
OCCCO
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

Weigh it out

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

Names and synonyms

15 names · show all
  • PG
  • β-Propylene glycol
  • 1,3-Propylene glycol
  • Trimethylene glycol
  • 1,3-Dihydroxypropane
  • 2-Deoxyglycerol
  • 1,3-Propylenediol
  • ω-Propanediol
  • NSC 65426
  • Bio-PDO
  • Zemea
  • Susterra
  • Zemea propanediol
  • Propane-1,3-diol
  • P 0486

Work with 1,3-Propanediol

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

1,4-Butanediol110-63-478 % similar Polytetrahydrofuran25190-06-178 % similar 1,5-Pentanediol111-29-570 % similar 1,10-Decanediol112-47-070 % similar 1,14-Tetradecanediol19812-64-770 % similar 1,9-Nonanediol3937-56-270 % similar 1,12-Dodecanediol5675-51-470 % similar 1,6-Hexanediol629-11-870 % similar

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

Same formula

2-Methoxyethanol109-86-4 Dimethoxymethane109-87-5 Polyethylene glycol monomethyl ether114740-40-8 R-(-)-1,2-Propanediol4254-14-2 (+)-1,2-Propanediol4254-15-3 Propylene glycol57-55-6 Polyethylene glycol monomethyl ether9004-74-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia