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Reference substances

Reference substances

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General information

Inventory

EC number:
245-204-2
EC name:
2-octyldodecyl stearate
CAS number:
22766-82-1

No inventory information available

Reference substance information

IUPAC name:
2-Octyldodecyl, octadecanoate
Synonyms
Names:
Identifier:
IUPAC name
2-octyldodecyl stearate
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
Identifier:
other: InChl
InChI=1/C38H76O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-29-32-35-38(39)40-36-37(33-30-27-15-12-9-6-3)34-31-28-25-17-14-11-8-5-2/h37H,4-36H2,1-3H3

CAS information

CAS number:
22766-82-1

Molecular and structural information

Molecular formula:
C38H76O2
Molecular weight:
565
SMILES notation:
O=C(OCC(CCCCCCCCCC)CCCCCCCC)CCCCCCCCCCCCCCCCC
InChl:
InChI=1S/C38H76O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-29-32-35-38(39)40-36-37(33-30-27-15-12-9-6-3)34-31-28-25-17-14-11-8-5-2/h37H,4-36H2,1-3H3
Structural formula:
Chemical structure