Basic information
- CAS
67816-09-5- Standard SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[La+3]- InChIKey
PPNFILUQDVDXDA-UHFFFAOYSA-K- Molecular formula
- C24H45LaO6
- Average molar mass
- 568.5 g/mol
- Monoisotopic mass
- 568.22796746
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethyl-, lanthanum(3+) salt (3:1)
- IUPAC
- tris(2-ethylhexanoate);lanthanum(3+)
Names & synonyms
67816-09-5Lanthanum 2-ethylhexoateLanthanum(3+) 2-ethylhexanoateHexanoic acid, 2-ethyl-, lanthanum(3+) saltEINECS 267-212-5Hexanoic acid, 2-ethyl-, lanthanum(3+) salt (3:1)DTXSID80890941RefChem:146200DTXCID401031381Lanthanum tris(2-ethylhexanoate)2-ethylhexanoate;lanthanum(3+)lanthanum 2-ethylhexanoate
Show more names
lanthanum 2 -ethylhexanoateC24H45LaO6SCHEMBL1319485lanthanum(III) 2-ethylhexanoate2-Ethylhexanoic acid lanthanum(III) saltNS00087345
Database identifiers
- CAS
67816-09-5- PubChem CID
- 171899
- DTXSID
DTXSID80890941- EC Number
- 267-212-5
- Nikkaji
- J317.190F
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 93.9
Experimental & physicochemical properties
Chemical ClassesMetals -> Rare Earth Metals
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummarySee 2-Ethylhexanoic acid. See Lanthanum. See RARE EARTH METALS and the linked occupational diseases.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsFibrogenic - Inducing tissue injury and fibrosis (scarring).
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethyl-, lanthanum(3+) salt (3:1): ACTIVE
Related reactions
2 records
Compound notes
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