Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
307-751-6
EC name:
Glycerides, tall-oil mono-, di-, and tri-
CAS number:
97722-02-6

No inventory information available

Reference substance information

IUPAC name:
Glycerides, tall-oil mono-, di-, and tri-
Synonyms
Names:
Identifier:
CAS number
97722-02-6
Identifier:
IUPAC name
97722-02-6
Identifier:
IUPAC name
Glycerides, tall-oil mono-, di-, tri-
Identifier:
other: Molecular formula
n.a.
Identifier:
other: SMILES notation
n.a.
Identifier:
other: SMILES notation
not applicable

CAS information

CAS number:
97722-02-6

Molecular and structural information

Molecular formula:
C21H40O4, C39H72O5, C57H104O6
Molecular weight:
356.6 - 885.5
SMILES notation:
Examples for SMILES notation:
O=C(OCC(O)C(O))CCCCCCCC=CCCCCCCCC
and
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC
and
CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(CCCCCCCC=CCCCCCCCC)=O)COC(=O)CCCCCCCC=CCCCCCCCC
InChl:
Examples for InChI:
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
and
InChI=1/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+
and
InChI=1/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+
Structural formula:
Chemical structure