Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID60906059

Structure

InChI Key MCQSEGPNPRDOCL-UHFFFAOYSA-N
Smiles COC(=O)OC.OCCCCCCO
InChI
InChI=1S/C6H14O2.C3H6O3/c7-5-3-1-2-4-6-8;1-5-3(4)6-2/h7-8H,1-6H2;1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H20O5
Molecular Weight 208.13
AlogP 0.93
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 75.99
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 101325-00-2
NORMAN SUSDAT
PubChem 44150890