Basic information
- CAS
4696-54-2- Standard SMILES
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2]- InChIKey
PJUKKJYOSBWEQO-UHFFFAOYSA-L- Molecular formula
- C16H30BaO4
- Average molar mass
- 423.7 g/mol
- Monoisotopic mass
- 424.119656
Names & identifiers
- Preferred name
- Caprylic acid, barium salt
- IUPAC
- barium(2+);bis(octanoate)
Names & synonyms
caprylic acid, barium saltRefChem:855993Barium octanoateBarium caprylateOCTANOIC ACID, BARIUM SALT4696-54-2Octanoic acid, barium salt (2:1)Barium octoateNikkaocthix BariumEINECS 225-165-8Barium dioctanoateSCHEMBL2392144
Show more names
DTXSID70890591DB-253832NS00081234
Database identifiers
- CAS
4696-54-2- PubChem CID
- 20822
- DTXSID
DTXSID70890591- EC Number
- 225-165-8
- Nikkaji
- J65.646A
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 83.7
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Octanoic acid, barium salt
Octanoic acid, barium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Octanoic acid, barium salt: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanoic acid, barium salt (2:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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