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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
[(7,7-dimethyloctanoyl)oxy]bario 7,7-dimethyloctanoate

Inventory

EC number:
259-509-3
EC name:
Barium neodecanoate
CAS number:
55172-98-0
CAS number:
55172-98-0
Synonyms
Names:
Barium Di-neodecanoate
Neodecanoic acid, barium salt
Identifier:
IUPAC name
Barium neodecanoate
Identifier:
IUPAC name
Neodecanoic acid, barium salt (2:1)
Identifier:
IUPAC name
No specific name available
Identifier:
other: Molecular formula
C10-H20-O2.1/2Ba
Identifier:
other: Molecular formula
C10H20O2.1/2Ba
Identifier:
other: Molecular formula
C20H38O4Ba
Identifier:
other: SMILES notation
CC(C)(C)CCC(C)(C)C(=O)O[Ba]OC(=O)C(C)(C)CCC(C)(C)C
Identifier:
other: SMILES notation
CC(C)(C)CCC(C)(C)C(=O)O[Ba]OC(=O)C(C)(C)CCC(C)(C)C (typical)
Identifier:
other: InChl
InChI=1/2C10H20O2.Ba/c2*1-9(2,3)6-7-10(4,5)8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2
barium bis(3,3,5,5-tetramethylhexanoate)

Molecular and structural information

Molecular formula:
C20H38BaO4
Molecular weight:
479.8
SMILES notation:
CC(C)(C)CC(C)(C)CC(=O)O[Ba]OC(=O)CC(C)(C)CC(C)(C)C
InChl:
InChI=1/2C10H20O2.Ba/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2
Structural formula:
Chemical structure

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