Isotope Science / Alfa Chemistry
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Triolein (1,1,1-13C3)

Catalog Number ACM82005467-1
CAS 82005-46-7
Structure Structure
Synonyms Glyceryl tri(oleate-1-13C)
IUPAC Name 2,3-bis[[(Z)-(1-13C)octadec-9-enoyl]oxy]propyl (Z)-(1-13C)octadec-9-enoate
Molecular Weight 888.41
Molecular Formula C5413C3H104O6
InChI InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/i55+1,56+1,57+1
InChI Key PHYFQTYBJUILEZ-UBEHWWNBSA-N
Boiling Point 235-240 °C (455-464 °F) at 24 hPa (18 mmHg)
Flash Point 330.0 °C (626.0 °F)-closed cup
Purity 98%
Density 0.91 g/mL at 20 °C (68 °F)
Appearance Colourless clear viscous liquid
Isomeric SMILES CCCCCCCC/C=C\CCCCCCC[13C](=O)OCC(O[13C](=O)CCCCCCC/C=C\CCCCCCCC)CO[13C](=O)CCCCCCC/C=C\CCCCCCCC
Isotopic Enrichment 99 atom % 13C
Stability Stable if stored under recommended conditions.
Unlabeled CAS 122-32-7
Unlabeled Synonyms 1,2,3-Tri(cis-9-octadecenoyl)glycerol; Glycerol trioleate
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