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Reference substances

Currently viewing:
IUPAC name:
isobutyl stearate

Inventory

EC number:
211-466-1
EC name:
Isobutyl stearate
CAS number:
646-13-9
CAS number:
646-13-9
Synonyms
Names:
Octadecanoic acid, 2-methylpropyl ester
Identifier:
IUPAC name
Octadecanoic acid, 2-methylpropyl ester
Identifier:
IUPAC name
octadecanoic acid, isobutyl ester
Identifier:
other: InChl
InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3
Identifier:
other: SMILES notation
O=C(OCC(C)C)CCCCCCCCCCCCCCCCC

Molecular and structural information

Molecular formula:
C22H44O2
Molecular weight:
340.584
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
InChl:
InChI=1/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3
Structural formula:
Chemical structure

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