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Reference substances

Reference substances

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General information

Inventory

EC number:
242-960-5
EC name:
Pentaerythritol tetraoleate
CAS number:
19321-40-5

No inventory information available

Reference substance information

IUPAC name:
3-(oleoyloxy)-2,2-bis[(oleoyloxy)methyl]propyl octadec-9-enoate (non-preferred name)
Synonyms
Names:
9-Octadecenoic acid (9Z)-, 2,2-bis[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl ester
9-Octadecenoic acid (Z)-, 2,2-bis[[(1-oxo-9-octadecenyl) oxy]methyl]-1,3-propanediyl ester, (Z,Z)-

CAS information

CAS number:
19321-40-5

Molecular and structural information

Molecular formula:
C77H140O8
Molecular weight:
1 193.931
SMILES notation:
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
InChl:
InChI=1/C77H140O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3