Diglycerin

C₆H₁₄O₅CAS 59113-36-9166.17 g/mol

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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 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation74.7% of notifiers
H319 Causes serious eye irritation74.7% of notifiers
H335 May cause respiratory irritation74.7% of notifiers

Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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.

Diglycerin627-82-7

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