Polyglycerin-3

C9H20O7CAS 56090-54-1240.25 g/mol

Open in Covalent MOL file
OOOHOHOHOHHO
AlcoholEther

Properties

Molecular formula
C9H20O7
Molar mass
240.25 g/mol
Exact mass
240.1209 Da
Density
1.2805 g/mL (at 20 °C)
Melting point
98–99 °C
logP
-2.91Crippen estimate
Polar surface area
119.6 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
56090-54-1
SMILES
C(C(COCC(COCC(CO)O)O)O)O
InChIKey
AGNTUZCMJBTHOG-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O7/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-14H,1-6H2

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Names and synonyms

7 names
  • Triglycerol
  • Triglycerin
  • Glycerol trimer
  • Great oil TR 1
  • PGL 03P
  • Triglycerin S
  • PGL-S

Work with Polyglycerin-3

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

Similar compounds

Decaglycerin9041-07-0100 % similar Diglycerin59113-36-994 % similar Diglycerin627-82-794 % similar Oxetan-3-ol7748-36-971 % similar Batyl alcohol544-62-759 % similar Glyceryl allyl ether123-34-258 % similar 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-658 % similar 3-Methoxy-1,2-propanediol36887-04-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook