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Catalog DGS1338438
CAS 1338-43-8
Structure
Synonyms Sorbitan monooleate
IUPAC Name [2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] octadec-9-enoate
Molecular Weight 428.6
Molecular Formula C24H44O6
InChI InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3
InChI Key NWGKJDSIEKMTRX-UHFFFAOYSA-N
Boiling Point >100 °C
Melting Point 0.986°C
Flash Point 148.9 °C
Density 0.986 g/mL at 25 °C (lit.)
Appearance Yellow viscous liquid
Complexity 453
EC Number 215-665-4
Exact Mass 428.31378912
Formal Charge 0
Heavy Atom Count 30
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
Isomeric SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O
MDL Number MFCD00080948
Monoisotopic Mass 428.31378912
Rotatable Bond Count 19
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Conditions Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Topological Polar Surface Area 96.2 Ų
XLogP3-AA 6

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