chempirical

Diglycerin

C6H14O5CAS 59113-36-9166.17 g/mol

Open in Covalent MOL file
OOHOHOHHO
AlcoholEther

Properties

Molecular formula
C6H14O5
Molar mass
166.17 g/mol
Exact mass
166.0841 Da
Density
1.2774 g/mL (at 20 °C)
Melting point
96–97 °C
Boiling point
173 °C (at 14 Torr)
logP
-2.29Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59113-36-9
SMILES
C(C(COCC(CO)O)O)O
InChIKey
GPLRAVKSCUXZTP-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2

Weigh it out

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Names and synonyms

9 names
  • Propanediol, oxybis-
  • Glycerol dimer
  • Diglycerol
  • K-COL-II
  • Great oil DI 1
  • Diglycerin S
  • DIG-S
  • Resassol DN
  • Diglycerin 801

Work with Diglycerin

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 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.

Bis(2,3-dihydroxypropyl) ether627-82-7

Similar compounds

Polyglycerin-356090-54-194 % similar Decaglycerin9041-07-094 % similar Oxetan-3-ol7748-36-965 % similar Batyl alcohol544-62-762 % similar Glyceryl allyl ether123-34-260 % similar 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-660 % similar 3-Methoxy-1,2-propanediol36887-04-459 % similar 3-Methoxy-1,2-propanediol623-39-259 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook