Basic information
- CAS
62669-65-2- Standard SMILES
O=C([O-])CCCC1CCCCC1.O=C([O-])CCCC1CCCCC1.[Ba+2]- InChIKey
NFAVTTVOXXCARJ-UHFFFAOYSA-L- Molecular formula
- C20H34BaO4
- Average molar mass
- 475.8 g/mol
- Monoisotopic mass
- 476.150957
Names & identifiers
- Preferred name
- cyclohexanebutanoic acid, barium salt
- IUPAC
- barium(2+);bis(4-cyclohexylbutanoate)
Names & synonyms
Barium cyclohexanebutyrateCyclohexanebutanoic acid, barium saltBarium cyclohexanebutyrate (1:2)EINECS 263-685-7DTXSID6069616RefChem:580499DTXCID1043469263-685-7Cyclohexanebutanoic acid, barium salt (2:1)62669-65-2bariumcyclohexanebutyratebarium(2+);4-cyclohexylbutanoate
Show more names
C20H34BaO4SCHEMBL440833Barium bis(4-cyclohexylbutanoate)NFAVTTVOXXCARJ-UHFFFAOYSA-LMFCD00036397SBB008626AKOS015840890AKOS025116690
Database identifiers
- CAS
62669-65-2- PubChem CID
- 112911
- DTXSID
DTXSID6069616- EC Number
- 263-685-7
- Nikkaji
- J307.113H
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
Chemical ClassesMetals -> Organic Acids, Metal Salts
Physical DescriptionWhite powder; Insoluble in water; [Alfa Aesar MSDS]
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
Warning
H302 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCyclohexanebutanoic acid, barium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Harmful by ingestion and inhalation; [Alfa Aesar MSDS] See Barium.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Immediately Dangerous to Life or Health (IDLH)50.0 [mg/m3], as Ba
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanebutanoic acid, barium salt (2:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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